![(2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid structure](/static/products/956/956958-63-7.png)
(2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid
TL;DR: (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid (CAS 956958-63-7) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
Also Known As: (4-Chlorobenzoyl)-l-isoleucine, (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid, (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid, (2S,3S)-2-(4-chlorophenyl)formamido-3-methylpentanoic acid, (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoicacid
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.5691 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 430.36743 |
Chemical Identifiers
| CAS Number | 956958-63-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)Cl |
Product Overview
(2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid (CAS 956958-63-7), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid.
Chemical Property Profile of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid
Property Insights of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid
The XLogP value of 2.5691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid has 2 hydrogen bond donor(s) and 2 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 (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid?
The CAS number of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid is 956958-63-7.
What is the molecular formula of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid?
The molecular formula of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid is C13H16ClNO3.
What is the molecular weight of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid?
The molecular weight of (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid is 269.08 g/mol.
Where can I buy (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid?
You can request a quote for (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-[(4-chlorophenyl)formamido]-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.