(2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid
TL;DR: (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid (CAS 956374-46-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
Also Known As: (2-Methylbenzoyl)-l-valine, (2S)-3-methyl-2-[(2-methylphenyl)formamido]butanoic acid, (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid, 3-methyl-2-[(2-methylbenzoyl)amino]butanoic Acid, (2S)-3-methyl-2-(2-methylphenyl)formamidobutanoic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.83402 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 426.42767 |
Chemical Identifiers
| CAS Number | 956374-46-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
(2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid (CAS 956374-46-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid
Property Insights of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid
The XLogP value of 1.83402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic 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)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid?
The CAS number of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid is 956374-46-2.
What is the molecular formula of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid?
The molecular formula of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid is C13H17NO3.
What is the molecular weight of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid?
The molecular weight of (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid is 235.12 g/mol.
Where can I buy (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid?
You can request a quote for (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-((2-methylphenyl)formamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.