Methyl 2-chlorohexadecanoate
TL;DR: Methyl 2-chlorohexadecanoate (CAS 41753-98-4) is a chemical compound with molecular formula C17H33ClO2 and molecular weight 304.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chlorohexadecanoate
Also Known As: Methyl 2-chlorohexadecanoate, Methyl alpha-chloropalmitate, 2-Chlorohexadecanoic acid, methyl ester, alpha-Chloropalmitic acid methyl ester, Hexadecanoic acid,2-chloro-,methyl ester
| Molecular Formula | C17H33ClO2 |
|---|---|
| Molecular Weight | 304.22 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 304.21692 |
| Heavy Atoms | 20 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 41753-98-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OC)Cl |
| InChIKey | NYTGXUXRZXHXQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chlorohexadecanoate (CAS 41753-98-4), with molecular formula C17H33ClO2 and molecular weight 304.22 g/mol. IUPAC: methyl 2-chlorohexadecanoate.
Chemical Property Profile of Methyl 2-chlorohexadecanoate
Property Insights of Methyl 2-chlorohexadecanoate
The XLogP value of 8.0 indicates that Methyl 2-chlorohexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chlorohexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chlorohexadecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-chlorohexadecanoate?
The CAS number of Methyl 2-chlorohexadecanoate is 41753-98-4.
What is the molecular formula of Methyl 2-chlorohexadecanoate?
The molecular formula of Methyl 2-chlorohexadecanoate is C17H33ClO2.
What is the molecular weight of Methyl 2-chlorohexadecanoate?
The molecular weight of Methyl 2-chlorohexadecanoate is 304.22 g/mol.
Where can I buy Methyl 2-chlorohexadecanoate?
You can request a quote for Methyl 2-chlorohexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chlorohexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chlorohexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.