![rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid structure](/static/products/937/93709-63-8.png)
rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid
TL;DR: rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid (CAS 93709-63-8) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoic acid
Also Known As: N-(4-chloro-benzoyl)-valine, (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoic acid, (2S)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid, 2-(4-Chloro-benzoylamino)-3-methyl-butyric acid, rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.179 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 414.26385 |
Chemical Identifiers
| CAS Number | 93709-63-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)Cl |
Product Overview
rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid (CAS 93709-63-8), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid
Property Insights of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid
The XLogP value of 2.179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid. Following Lipinski's Rule of Five, rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic 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 rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid?
The CAS number of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid is 93709-63-8.
What is the molecular formula of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid?
The molecular formula of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid is C12H14ClNO3.
What is the molecular weight of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid?
The molecular weight of rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid is 255.07 g/mol.
Where can I buy rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid?
You can request a quote for rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for rel-(2R)-2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.