RefChem:304978
TL;DR: RefChem:304978 (CAS 108098-27-7) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[1-(4-ethoxyphenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-ethoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-7-({[1-(4-Ethoxyphenyl)cyclopentyl](hydroxy)methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[1-(4-ethoxyphenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-({[1-(4-Ethoxyphenyl)cyclopentyl](hydroxy)methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5668266
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 2.6556 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 904.6079 |
Chemical Identifiers
| CAS Number | 108098-27-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2(CCCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
Product Overview
RefChem:304978 (CAS 108098-27-7), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: (6R,7R)-7-[[1-(4-ethoxyphenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of RefChem:304978
Property Insights of RefChem:304978
The XLogP value of 2.6556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304978. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304978. Following Lipinski's Rule of Five, RefChem:304978 has 2 hydrogen bond donor(s) and 5 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 RefChem:304978?
The CAS number of RefChem:304978 is 108098-27-7.
What is the molecular formula of RefChem:304978?
The molecular formula of RefChem:304978 is C22H26N2O5S.
What is the molecular weight of RefChem:304978?
The molecular weight of RefChem:304978 is 430.16 g/mol.
Where can I buy RefChem:304978?
You can request a quote for RefChem:304978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304978?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.