Chloromethyl dodecanoate
TL;DR: Chloromethyl dodecanoate (CAS 13129-21-0) is a chemical compound with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl dodecanoate
Also Known As: Chloromethyl dodecanoate, Chloromethyl laurate, chloromethyldodecanoate, Chloromethyl laurate #, Dodecanoic acid, chloromethyl ester
| Molecular Formula | C13H25ClO2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 248.15431 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 13129-21-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCCl |
| InChIKey | XCHDYWCWXAASER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl dodecanoate (CAS 13129-21-0), with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol. IUPAC: chloromethyl dodecanoate.
Chemical Property Profile of Chloromethyl dodecanoate
Property Insights of Chloromethyl dodecanoate
The XLogP value of 6.0 indicates that Chloromethyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl dodecanoate 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 Chloromethyl dodecanoate?
The CAS number of Chloromethyl dodecanoate is 13129-21-0.
What is the molecular formula of Chloromethyl dodecanoate?
The molecular formula of Chloromethyl dodecanoate is C13H25ClO2.
What is the molecular weight of Chloromethyl dodecanoate?
The molecular weight of Chloromethyl dodecanoate is 248.15 g/mol.
Where can I buy Chloromethyl dodecanoate?
You can request a quote for Chloromethyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.