![(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid structure](/static/products/6505/65054-81-1.webp)
(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
TL;DR: (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid (CAS 65054-81-1) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoic Acid, (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.93112 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 433.99945 |
Chemical Identifiers
| CAS Number | 65054-81-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid (CAS 65054-81-1), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
Property Insights of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
The XLogP value of 1.93112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid has 2 hydrogen bond donor(s) and 3 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)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid?
The CAS number of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid is 65054-81-1.
What is the molecular formula of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid?
The molecular formula of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid is C13H17NO3S.
What is the molecular weight of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid?
The molecular weight of (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid is 267.09 g/mol.
Where can I buy (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid?
You can request a quote for (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.