5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- (CAS 108098-20-0) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.1406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-methyl-8-oxo-7-[[1-(2-propoxyphenyl)cyclopropanecarbonyl]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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-3-methyl-8-oxo-7-[[1-(2-propoxyphenyl)cyclopropanecarbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-Methyl-8-oxo-7-[1-(2-propoxyphenyl)cyclopropane-1-carboxamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5666443
Technical Specifications
| Molecular Formula | C21H24N2O5S |
| Molecular Weight | 416.1406 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1406 Da |
| Heavy Atoms | 29 |
| Complexity | 747.0 |
| SMILES | CCCOC1=CC=CC=C1C2(CC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
| InChIKey | GRMHDGWVOOGNEH-CRAIPNDOSA-N |
Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
The XLogP value of 2.2 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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-. The TPSA of 121.0 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-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 108098-20-0.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is C21H24N2O5S.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 416.1406 g/mol.
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)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-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
Yes, CoreyChem provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.