3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester (CAS 71297-15-9) — formula C44H55ClN4O8, molecular weight 803.4; category organic chemicals.
| CAS Number | 71297-15-9 |
|---|---|
| Molecular Formula | C44H55ClN4O8 |
| Molecular Weight | 803.4 |
| LogP | 11.7 |
| Applications | General Manufacturing Information: Benzoic acid, 4-chloro-3-[[2-[3, 5-dioxo-1-phenyl-2-(phenylmethyl)-1, 2, 4-triazolidin-4-yl]-4, 4-dimethyl-1, 3-dioxopentyl]amino]-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoic acid, 4-chloro-3-[[2-[3, 5-dioxo-1-phenyl-2-(phenylmethyl)-1, 2, 4-triazolidin-4-yl]-4, 4-dimethyl-1, 3-dioxopentyl]amino]-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester: INACTIVE.
3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester is a carbon-based organic compound with CAS registry number 71297-15-9 and molecular formula C44H55ClN4O8 (molecular weight 803.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 71297-15-9
Its molecular formula C44H55ClN4O8 comprises 44 C, 55 H, 1 Cl, 4 N, 8 O atoms.
Also known as: 3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester · 3-[2-(1-苄基-3,5-二氧代-2-苯基-1,2,4-三唑烷-4-基)-4,4-二甲基-3-氧代戊酰氨基]-4-氯苯甲酸1-十二烷氧基羰基乙酯
Category: organic chemicals
The CAS registry number of 3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester is 71297-15-9.
Molecular formula C44H55ClN4O8, molecular weight 803.4.
It is also registered under: 3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester, 3-[2-(1-苄基-3,5-二氧代-2-苯基-1,2,4-三唑烷-4-基)-4,4-二甲基-3-氧代戊酰氨基]-4-氯苯甲酸1-十二烷氧基羰基乙酯.
Recorded applications: General Manufacturing Information: Benzoic acid, 4-chloro-3-[[2-[3, 5-dioxo-1-phenyl-2-(phenylmethyl)-1, 2, 4-triazolidin-4-yl]-4, 4-dimethyl-1, 3-dioxopentyl]amino]-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-[2-(1-Benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovalerylamino]-4-chlorobenzoic acid 1-dodecyloxycarbonylethyl ester (CAS 71297-15-9), compiled from public chemistry databases.
| CAS 号 | 71297-15-9 |
|---|---|
| PubChem CID | 116759 |
| 分子式 | C44H55ClN4O8 |
| IUPAC 名称 | (1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate |
| Molecular Weight | 803.4 |
|---|---|
| XLogP3 | 11.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 24 |
| Exact Mass | 802.3708424 |
| Monoisotopic Mass | 802.3708424 |
| Topological Polar Surface Area | 143 |
| Heavy Atom Count | 57 |
71297-15-9; DTXSID40887610; RefChem:118456; DTXCID801026899; SCHEMBL9488683; SCHEMBL11088708; ONXHKHVNPZCHFB-UHFFFAOYSA-N
3-[2-(1-苄基-3,5-二氧代-2-苯基-1,2,4-三唑烷-4-基)-4,4-二甲基-3-氧代戊酰氨基]-4-氯苯甲酸1-十二烷氧基羰基乙酯 · CAS 71297-15-9 · C44H55ClN4O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-[2-(1-苄基-3,5-二氧代-2-苯基-1,2,4-三唑烷-4-基)-4,4-二甲基-3-氧代戊酰氨基]-4-氯苯甲酸1-十二烷氧基羰基乙酯