5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
TL;DR: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- (CAS 108098-22-2) 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)-3-methyl-8-oxo-7-[[1-(4-propoxyphenyl)cyclobutanecarbonyl]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-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-3-methyl-8-oxo-7-[[1-(4-propoxyphenyl)cyclobutanecarbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-Methyl-8-oxo-7-[1-(4-propoxyphenyl)cyclobutane-1-carboxamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5668542, RefChem:304981
| 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 | 7 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 906.6079 |
Chemical Identifiers
| CAS Number | 108098-22-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2(CCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
Product Overview
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- (CAS 108098-22-2), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: (6R,7R)-3-methyl-8-oxo-7-[[1-(4-propoxyphenyl)cyclobutanecarbonyl]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, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
Property Insights of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
The XLogP value of 2.6556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-. The TPSA of 95.94 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, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- 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 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
The CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 108098-22-2.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
The molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is C22H26N2O5S.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
The molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 430.16 g/mol.
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
You can request a quote for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (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, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.