L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester
TL;DR: L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester (CAS 78774-19-3) is a chemical compound with molecular formula C10H18ClNO3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-(3-chlorobutan-2-ylsulfanyl)propanoate
Also Known As: N-Acetyl-S-2-(chloro-1-methylpropyl)-L-cysteine methyl ester, L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester, ALANINE, N-ACETYL-3-((2-CHLORO-1-METHYLPROPYL)THIO)-, METHYL ESTER, L-, methyl 2-acetamido-3-(3-chlorobutan-2-ylsulfanyl)propanoate, N-{3-[(3-Chlorobutan-2-yl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
| Molecular Formula | C10H18ClNO3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.06958 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 78774-19-3 |
|---|---|
| SMILES | CC(C(C)Cl)SCC(C(=O)OC)NC(=O)C |
| InChIKey | XJVXZKGKBXUXRV-UHFFFAOYSA-N |
Product Overview
L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester (CAS 78774-19-3), with molecular formula C10H18ClNO3S and molecular weight 267.07 g/mol. IUPAC: methyl 2-acetamido-3-(3-chlorobutan-2-ylsulfanyl)propanoate.
Chemical Property Profile of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester
Property Insights of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester. Following Lipinski's Rule of Five, L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester has 1 hydrogen bond donor(s) and 4 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 L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester?
The CAS number of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester is 78774-19-3.
What is the molecular formula of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester?
The molecular formula of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester is C10H18ClNO3S.
What is the molecular weight of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester?
The molecular weight of L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester is 267.07 g/mol.
Where can I buy L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester?
You can request a quote for L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-N-Acetyl-3-((2-chloro-1-methylpropyl)thio)alanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.