(2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid
TL;DR: (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid (CAS 1195143-51-1) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid
Also Known As: N-(phenylsulfonyl)-L-alloisoleucine, (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid, 2-benzenesulfonamido-3-methylpentanoic acid, 2-(benzenesulfonamido)-3-methyl-pentanoic Acid, (2S,3R)-2-BENZENESULFONAMIDO-3-METHYLPENTANOIC ACID
Technical Specifications
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.08783 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WWGFHIUBQGZSMR-KOLCDFICSA-N |
Chemical Property Profile of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid
Property Insights of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid 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 (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid?
The CAS number of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid is 1195143-51-1.
What is the molecular formula of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid?
The molecular formula of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid is C12H17NO4S.
What is the molecular weight of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid?
The molecular weight of (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid is 271.08783 g/mol.
Where can I buy (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid?
You can request a quote for (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S,3R)-2-(benzenesulfonamido)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.