RefChem:304972
TL;DR: RefChem:304972 (CAS 108098-29-9) is a chemical compound with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-methyl-8-oxo-7-[[1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-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-(3-propoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-3-methyl-8-oxo-7-[[1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-Methyl-8-oxo-7-[1-(3-propoxyphenyl)cyclopentane-1-carboxamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5671115, RefChem:304972
| Molecular Formula | C23H28N2O5S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 3.0457 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1719 |
| Heavy Atoms | 31 |
| Complexity | 937.6495 |
Chemical Identifiers
| CAS Number | 108098-29-9 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2(CCCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
Product Overview
RefChem:304972 (CAS 108098-29-9), with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol. IUPAC: (6R,7R)-3-methyl-8-oxo-7-[[1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of RefChem:304972
Property Insights of RefChem:304972
The XLogP value of 3.0457 indicates that RefChem:304972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304972. Following Lipinski's Rule of Five, RefChem:304972 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:304972?
The CAS number of RefChem:304972 is 108098-29-9.
What is the molecular formula of RefChem:304972?
The molecular formula of RefChem:304972 is C23H28N2O5S.
What is the molecular weight of RefChem:304972?
The molecular weight of RefChem:304972 is 444.17 g/mol.
Where can I buy RefChem:304972?
You can request a quote for RefChem:304972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.