Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)
TL;DR: Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) (CAS 115527-63-4) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-benzamido-4-methylsulfonylbutanoic acid
Also Known As: (2S)-2-benzamido-4-methylsulfonylbutanoic acid, (2S)-2-benzamido-4-methylsulfonyl-butanoic Acid, (S)-2-Benzamido-4-(methylsulfonyl)butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)butanoic acid, Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)- (9CI)
Technical Specifications
| Molecular Formula | C12H15NO5S |
| Molecular Weight | 285.0671 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.0671 Da |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
| SMILES | CS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1 |
| InChIKey | YVZWIGYDBXKHQF-JTQLQIEISA-N |
Chemical Property Profile of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)
Property Insights of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI). The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI). Following Lipinski's Rule of Five, Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) 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
What is the CAS number of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)?
The CAS number of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) is 115527-63-4.
What is the molecular formula of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)?
The molecular formula of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) is C12H15NO5S.
What is the molecular weight of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)?
The molecular weight of Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) is 285.0671 g/mol.
Where can I buy Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)?
You can request a quote for Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI)?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2-(benzoylamino)-4-(methylsulfonyl)-, (S)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.