benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 70653-54-2) — formula C41H38N6O10S, molecular weight 806.8; category organic chemicals.
| CAS Number | 70653-54-2 |
|---|---|
| Molecular Formula | C41H38N6O10S |
| Molecular Weight | 806.8 |
| LogP | 4.7 |
| Category | Organic Chemicals |
benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is a carbon-based organic compound with CAS registry number 70653-54-2 and molecular formula C41H38N6O10S (molecular weight 806.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70653-54-2
Its molecular formula C41H38N6O10S comprises 41 C, 38 H, 6 N, 10 O, 1 S atoms.
Also known as: benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate · 二苯甲基7-[[2-(4-羟基苯基)-3-(4-甲氧基苄氧基)-3-氧代丙酰基]氨基]-7-甲氧基-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸酯
Category: organic chemicals
The CAS registry number of benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is 70653-54-2.
Molecular formula C41H38N6O10S, molecular weight 806.8.
It is also registered under: benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 二苯甲基7-[[2-(4-羟基苯基)-3-(4-甲氧基苄氧基)-3-氧代丙酰基]氨基]-7-甲氧基-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸酯.
Category: Organic Chemicals.
Independent reference data for benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 70653-54-2), compiled from public chemistry databases.
| CAS 号 | 70653-54-2 |
|---|---|
| PubChem CID | 13423423 |
| 分子式 | C41H38N6O10S |
| IUPAC 名称 | benzhydryl 7-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| UNII（FDA） | NS00060954 |
| Molecular Weight | 806.8 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 17 |
| Exact Mass | 806.23701260 |
| Monoisotopic Mass | 806.23701260 |
| Topological Polar Surface Area | 219 |
| Heavy Atom Count | 58 |
70653-54-2; EINECS 274-723-7; DTXSID30990884; TYTWNEXLMSXPBY-UHFFFAOYSA-N; NS00060954
二苯甲基7-[[2-(4-羟基苯基)-3-(4-甲氧基苄氧基)-3-氧代丙酰基]氨基]-7-甲氧基-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸酯 · CAS 70653-54-2 · C41H38N6O10S. UNII NS00060954.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.