5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- (CAS 108098-23-3) is a chemical compound with molecular formula C23H28N2O5S and molecular weight 444.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[1-(2-butoxyphenyl)cyclobutanecarbonyl]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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-7-[[1-(2-butoxyphenyl)cyclobutanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[1-(2-Butoxyphenyl)cyclobutane-1-carboxamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5674215
Technical Specifications
| Molecular Formula | C23H28N2O5S |
| Molecular Weight | 444.1719 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.1719 Da |
| Heavy Atoms | 31 |
| Complexity | 778.0 |
| SMILES | CCCCOC1=CC=CC=C1C2(CCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
| InChIKey | IFTRUTISBGZVKE-YLJYHZDGSA-N |
Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
The XLogP value of 3.1 indicates that 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)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-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 108098-23-3.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is C23H28N2O5S.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)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-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- is 444.1719 g/mol.
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-?
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Does CoreyChem offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-butoxyphenyl)cyclobutyl)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-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.