4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid (CAS 40449-96-5) — formula C27H29NO9, molecular weight 511.5; category organic chemicals.
| CAS Number | 40449-96-5 |
|---|---|
| Molecular Formula | C27H29NO9 |
| Molecular Weight | 511.5 |
| LogP | 4.4 |
| Category | Organic Chemicals |
4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid is a carbon-based organic compound with CAS registry number 40449-96-5 and molecular formula C27H29NO9 (molecular weight 511.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40449-96-5
Its molecular formula C27H29NO9 comprises 27 C, 29 H, 1 N, 9 O atoms.
Also known as: 4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid · 4-[[[[5-(6-乙氧基-3-甲基-6-氧代-2-己烯基)-1,3-二氢-6-甲氧基-7-甲基-3-氧代异苯并呋喃]-4-基]氧基]羰基]氨基]苯甲酸
Category: organic chemicals
The CAS registry number of 4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid is 40449-96-5.
Molecular formula C27H29NO9, molecular weight 511.5.
It is also registered under: 4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid, 4-[[[[5-(6-乙氧基-3-甲基-6-氧代-2-己烯基)-1,3-二氢-6-甲氧基-7-甲基-3-氧代异苯并呋喃]-4-基]氧基]羰基]氨基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-[[[[[5-(6-Ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxoisobenzofuran]-4-yl]oxy]carbonyl]amino]benzoic acid (CAS 40449-96-5), compiled from public chemistry databases.
| CAS 号 | 40449-96-5 |
|---|---|
| PubChem CID | 6439632 |
| 分子式 | C27H29NO9 |
| IUPAC 名称 | 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid |
| Molecular Weight | 511.5 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 511.18423150 |
| Monoisotopic Mass | 511.18423150 |
| Topological Polar Surface Area | 137 |
| Heavy Atom Count | 37 |
Cam prodrug; Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate; NSC-297879D; 82970-82-9; RefChem:139020; SCHEMBL29463158; 40449-96-5
4-[[[[5-(6-乙氧基-3-甲基-6-氧代-2-己烯基)-1,3-二氢-6-甲氧基-7-甲基-3-氧代异苯并呋喃]-4-基]氧基]羰基]氨基]苯甲酸 · CAS 40449-96-5 · C27H29NO9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-[[[[5-(6-乙氧基-3-甲基-6-氧代-2-己烯基)-1,3-二氢-6-甲氧基-7-甲基-3-氧代异苯并呋喃]-4-基]氧基]羰基]氨基]苯甲酸