Chloromethyl undecanoate
TL;DR: Chloromethyl undecanoate (CAS 77877-96-4) is a chemical compound with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl undecanoate
Also Known As: Chloromethyl undecanoate, Undecanoic acid, chloromethyl ester, RefChem:333884
| Molecular Formula | C12H23ClO2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 234.13866 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 77877-96-4 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCCl |
| InChIKey | BDZBWJLRACXOET-UHFFFAOYSA-N |
Product Overview
Chloromethyl undecanoate (CAS 77877-96-4), with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol. IUPAC: chloromethyl undecanoate.
Chemical Property Profile of Chloromethyl undecanoate
Property Insights of Chloromethyl undecanoate
The XLogP value of 5.4 indicates that Chloromethyl undecanoate 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 undecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl undecanoate 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 undecanoate?
The CAS number of Chloromethyl undecanoate is 77877-96-4.
What is the molecular formula of Chloromethyl undecanoate?
The molecular formula of Chloromethyl undecanoate is C12H23ClO2.
What is the molecular weight of Chloromethyl undecanoate?
The molecular weight of Chloromethyl undecanoate is 234.14 g/mol.
Where can I buy Chloromethyl undecanoate?
You can request a quote for Chloromethyl undecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl undecanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl undecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.