2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid
TL;DR: 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid (CAS 69605-01-2) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: N-[(4-chlorophenyl)carbonyl]methionine, 2-[(4-chlorophenyl)formamido]-4-(methylsulfanyl)butanoic acid, N-(4-chlorobenzoyl)(methyl)homocysteine, 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid, 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.2761 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 421.83563 |
Chemical Identifiers
| CAS Number | 69605-01-2 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl |
Product Overview
2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid (CAS 69605-01-2), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid
Property Insights of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid
The XLogP value of 2.2761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid. Following Lipinski's Rule of Five, 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric 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 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid?
The CAS number of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid is 69605-01-2.
What is the molecular formula of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid?
The molecular formula of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid is C12H14ClNO3S.
What is the molecular weight of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid?
The molecular weight of 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid is 287.04 g/mol.
Where can I buy 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid?
You can request a quote for 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-benzoylamino)-4-methylsulfanyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.