3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid (CAS 94393-29-0) — formula C38H46N8O7S, molecular weight 758.9; category organic chemicals.
| CAS Number | 94393-29-0 |
|---|---|
| Molecular Formula | C38H46N8O7S |
| Molecular Weight | 758.9 |
| LogP | 10.1 |
| Category | Organic Chemicals |
3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid is a carbon-based organic compound with CAS registry number 94393-29-0 and molecular formula C38H46N8O7S (molecular weight 758.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94393-29-0
Its molecular formula C38H46N8O7S comprises 38 C, 46 H, 8 N, 7 O, 1 S atoms.
Also known as: 3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid · 3-[4-[4-(1-乙基-1H-四唑-5-基硫甲基)-1-(4-硝基苯基)-3-十一烷基-5-吡唑氧基]-1-羟基-2-萘甲氨基]丙酸
Category: organic chemicals
The CAS registry number of 3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid is 94393-29-0.
Molecular formula C38H46N8O7S, molecular weight 758.9.
It is also registered under: 3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid, 3-[4-[4-(1-乙基-1H-四唑-5-基硫甲基)-1-(4-硝基苯基)-3-十一烷基-5-吡唑氧基]-1-羟基-2-萘甲氨基]丙酸.
Category: Organic Chemicals.
Independent reference data for 3-[4-[4-(1-Ethyl-1H-tetrazole-5-ylthiomethyl)-1-(4-nitrophenyl)-3-undecyl-5-pyrazolyloxy]-1-hydroxy-2-naphthoylamino]propionic acid (CAS 94393-29-0), compiled from public chemistry databases.
| CAS 号 | 94393-29-0 |
|---|---|
| PubChem CID | 57356804 |
| 分子式 | C38H46N8O7S |
| IUPAC 名称 | 3-[[1-hydroxy-4-[1-(4-nitrophenyl)-4-[1-(2H-tetrazol-5-ylsulfanyl)propyl]-3-undecylpyrazol-5-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid |
| Molecular Weight | 758.9 |
|---|---|
| XLogP3 | 10.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 21 |
| Exact Mass | 758.32101701 |
| Monoisotopic Mass | 758.32101701 |
| Topological Polar Surface Area | 239 |
| Heavy Atom Count | 54 |
94393-29-0; DTXSID40723428; GERWHTRMMARAIA-UHFFFAOYSA-N
3-[4-[4-(1-乙基-1H-四唑-5-基硫甲基)-1-(4-硝基苯基)-3-十一烷基-5-吡唑氧基]-1-羟基-2-萘甲氨基]丙酸 · CAS 94393-29-0 · C38H46N8O7S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-[4-[4-(1-乙基-1H-四唑-5-基硫甲基)-1-(4-硝基苯基)-3-十一烷基-5-吡唑氧基]-1-羟基-2-萘甲氨基]丙酸