(S)-4-methyl-2-(phenylsulfonamido)pentanoic acid
TL;DR: (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid (CAS 68305-76-0) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(benzenesulfonamido)-4-methylpentanoic acid
Also Known As: (Phenylsulfonyl)-L-leucine, N-(Phenylsulfonyl)-L-leucine, (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid, J2.768.925F, (2S)-2-(benzenesulfonamido)-4-methylpentanoic acid
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 68305-76-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | FLJPDKBVKGRHQC-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-4-methyl-2-(phenylsulfonamido)pentanoic acid (CAS 68305-76-0), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: (2S)-2-(benzenesulfonamido)-4-methylpentanoic acid.
Chemical Property Profile of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid
Property Insights of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid. Following Lipinski's Rule of Five, (S)-4-methyl-2-(phenylsulfonamido)pentanoic 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
Frequently Asked Questions
What is the CAS number of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid?
The CAS number of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid is 68305-76-0.
What is the molecular formula of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid?
The molecular formula of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid is C12H17NO4S.
What is the molecular weight of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid?
The molecular weight of (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid is 271.09 g/mol.
Where can I buy (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid?
You can request a quote for (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-methyl-2-(phenylsulfonamido)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.