![(4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate structure](/static/products/263/263398-52-3.png)
(4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
TL;DR: (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate (CAS 263398-52-3) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Also Known As: (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 1.3187 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1026.542 |
Chemical Identifiers
| CAS Number | 263398-52-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)C2C(=O)CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4 |
Product Overview
(4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate (CAS 263398-52-3), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate.
Chemical Property Profile of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Property Insights of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
The XLogP value of 1.3187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate. Following Lipinski's Rule of Five, (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate?
The CAS number of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate is 263398-52-3.
What is the molecular formula of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate?
The molecular formula of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate is C23H22N2O6S.
What is the molecular weight of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate?
The molecular weight of (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate is 454.12 g/mol.
Where can I buy (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate?
You can request a quote for (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-methoxyphenyl)methyl (6R,7R)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.