Alanine, N-chloro-2-methyl-, octyl ester
TL;DR: Alanine, N-chloro-2-methyl-, octyl ester (CAS 59660-97-8) is a chemical compound with molecular formula C12H24ClNO2 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-(chloroamino)-2-methylpropanoate
Also Known As: Alanine, N-chloro-2-methyl-, octyl ester, Octyl N-chloro-2-methylalaninate, octyl 2-(chloroamino)-2-methylpropanoate
| Molecular Formula | C12H24ClNO2 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 249.14955 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 59660-97-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C)(C)NCl |
| InChIKey | ZMVJDHPYNAEYIM-UHFFFAOYSA-N |
Product Overview
Alanine, N-chloro-2-methyl-, octyl ester (CAS 59660-97-8), with molecular formula C12H24ClNO2 and molecular weight 249.15 g/mol. IUPAC: octyl 2-(chloroamino)-2-methylpropanoate.
Chemical Property Profile of Alanine, N-chloro-2-methyl-, octyl ester
Property Insights of Alanine, N-chloro-2-methyl-, octyl ester
The XLogP value of 4.0 indicates that Alanine, N-chloro-2-methyl-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Alanine, N-chloro-2-methyl-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, N-chloro-2-methyl-, octyl 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-, octyl ester?
The CAS number of Alanine, N-chloro-2-methyl-, octyl ester is 59660-97-8.
What is the molecular formula of Alanine, N-chloro-2-methyl-, octyl ester?
The molecular formula of Alanine, N-chloro-2-methyl-, octyl ester is C12H24ClNO2.
What is the molecular weight of Alanine, N-chloro-2-methyl-, octyl ester?
The molecular weight of Alanine, N-chloro-2-methyl-, octyl ester is 249.15 g/mol.
Where can I buy Alanine, N-chloro-2-methyl-, octyl ester?
You can request a quote for Alanine, N-chloro-2-methyl-, octyl 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-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-chloro-2-methyl-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.