Chloromethyl 4-chlorododecanoate
TL;DR: Chloromethyl 4-chlorododecanoate (CAS 80419-00-7) is a chemical compound with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 4-chlorododecanoate
Also Known As: Chloromethyl 4-chlorododecanoate, 4-Chlorododecanoic acid, chloromethyl ester, Dodecanoic acid, 4-chloro-, chloromethyl ester, RefChem:333835
| Molecular Formula | C13H24Cl2O2 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 282.11533 |
| Heavy Atoms | 17 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 80419-00-7 |
|---|---|
| SMILES | CCCCCCCCC(CCC(=O)OCCl)Cl |
| InChIKey | ZXYVRYZSZYAFKI-UHFFFAOYSA-N |
Product Overview
Chloromethyl 4-chlorododecanoate (CAS 80419-00-7), with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol. IUPAC: chloromethyl 4-chlorododecanoate.
Chemical Property Profile of Chloromethyl 4-chlorododecanoate
Property Insights of Chloromethyl 4-chlorododecanoate
The XLogP value of 5.7 indicates that Chloromethyl 4-chlorododecanoate 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 4-chlorododecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 4-chlorododecanoate 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 4-chlorododecanoate?
The CAS number of Chloromethyl 4-chlorododecanoate is 80419-00-7.
What is the molecular formula of Chloromethyl 4-chlorododecanoate?
The molecular formula of Chloromethyl 4-chlorododecanoate is C13H24Cl2O2.
What is the molecular weight of Chloromethyl 4-chlorododecanoate?
The molecular weight of Chloromethyl 4-chlorododecanoate is 282.12 g/mol.
Where can I buy Chloromethyl 4-chlorododecanoate?
You can request a quote for Chloromethyl 4-chlorododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 4-chlorododecanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 4-chlorododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.