5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-
TL;DR: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- (CAS 108098-25-5) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 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-phenylcyclopentanecarbonyl)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, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-, (6R,7R)-3-Methyl-8-oxo-7-(1-phenylcyclopentane-1-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-methyl-8-oxo-7-[(1-phenylcyclopentanecarbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5656395
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.2569 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 829.6433 |
Chemical Identifiers
| CAS Number | 108098-25-5 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CCCC3)C4=CC=CC=C4)SC1)C(=O)O |
Product Overview
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- (CAS 108098-25-5), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: (6R,7R)-3-methyl-8-oxo-7-[(1-phenylcyclopentanecarbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-
Property Insights of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-
The XLogP value of 2.2569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- has 2 hydrogen bond donor(s) and 4 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 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-?
The CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- is 108098-25-5.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-?
The molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- is C20H22N2O4S.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-?
The molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- is 386.13 g/mol.
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-?
You can request a quote for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.