Alanine, N-chloro-2-methyl-, hexyl ester
TL;DR: Alanine, N-chloro-2-methyl-, hexyl ester (CAS 59660-96-7) is a chemical compound with molecular formula C10H20ClNO2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(chloroamino)-2-methylpropanoate
Also Known As: Alanine, N-chloro-2-methyl-, hexyl ester, Hexyl N-chloro-2-methylalaninate, hexyl 2-(chloroamino)-2-methylpropanoate
| Molecular Formula | C10H20ClNO2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 221.11826 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 59660-96-7 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)(C)NCl |
| InChIKey | GZKBLSVHWXFQLH-UHFFFAOYSA-N |
Product Overview
Alanine, N-chloro-2-methyl-, hexyl ester (CAS 59660-96-7), with molecular formula C10H20ClNO2 and molecular weight 221.12 g/mol. IUPAC: hexyl 2-(chloroamino)-2-methylpropanoate.
Chemical Property Profile of Alanine, N-chloro-2-methyl-, hexyl ester
Property Insights of Alanine, N-chloro-2-methyl-, hexyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-chloro-2-methyl-, hexyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Alanine, N-chloro-2-methyl-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, N-chloro-2-methyl-, hexyl ester has 1 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 Alanine, N-chloro-2-methyl-, hexyl ester?
The CAS number of Alanine, N-chloro-2-methyl-, hexyl ester is 59660-96-7.
What is the molecular formula of Alanine, N-chloro-2-methyl-, hexyl ester?
The molecular formula of Alanine, N-chloro-2-methyl-, hexyl ester is C10H20ClNO2.
What is the molecular weight of Alanine, N-chloro-2-methyl-, hexyl ester?
The molecular weight of Alanine, N-chloro-2-methyl-, hexyl ester is 221.12 g/mol.
Where can I buy Alanine, N-chloro-2-methyl-, hexyl ester?
You can request a quote for Alanine, N-chloro-2-methyl-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-chloro-2-methyl-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-chloro-2-methyl-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.