Chloromethyl 8-chloroundecanoate
TL;DR: Chloromethyl 8-chloroundecanoate (CAS 80418-94-6) is a chemical compound with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 8-chloroundecanoate
Also Known As: Chloromethyl 8-chloroundecanoate, 8-Chloroundecanoic acid, chloromethyl ester, 8-Chloroundecanoic acid,chloromethyl ester, Undecanoic acid, 8-chloro-, chloromethyl ester, RefChem:333866
| Molecular Formula | C12H22Cl2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 268.09967 |
| Heavy Atoms | 16 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 80418-94-6 |
|---|---|
| SMILES | CCCC(CCCCCCC(=O)OCCl)Cl |
| InChIKey | APKARRRMGNWDTO-UHFFFAOYSA-N |
Product Overview
Chloromethyl 8-chloroundecanoate (CAS 80418-94-6), with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol. IUPAC: chloromethyl 8-chloroundecanoate.
Chemical Property Profile of Chloromethyl 8-chloroundecanoate
Property Insights of Chloromethyl 8-chloroundecanoate
The XLogP value of 4.8 indicates that Chloromethyl 8-chloroundecanoate 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 8-chloroundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 8-chloroundecanoate has 0 hydrogen bond donor(s) and 2 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 Chloromethyl 8-chloroundecanoate?
The CAS number of Chloromethyl 8-chloroundecanoate is 80418-94-6.
What is the molecular formula of Chloromethyl 8-chloroundecanoate?
The molecular formula of Chloromethyl 8-chloroundecanoate is C12H22Cl2O2.
What is the molecular weight of Chloromethyl 8-chloroundecanoate?
The molecular weight of Chloromethyl 8-chloroundecanoate is 268.10 g/mol.
Where can I buy Chloromethyl 8-chloroundecanoate?
You can request a quote for Chloromethyl 8-chloroundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 8-chloroundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 8-chloroundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.