Chloromethyl 6-chloroundecanoate
TL;DR: Chloromethyl 6-chloroundecanoate (CAS 80418-92-4) 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 6-chloroundecanoate
Also Known As: Chloromethyl 6-chloroundecanoate, 6-Chloroundecanoic acid, chloromethyl ester, Undecanoic acid, 6-chloro-, chloromethyl ester, RefChem:333855
| 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 | 80418-92-4 |
|---|---|
| SMILES | CCCCCC(CCCCC(=O)OCCl)Cl |
| InChIKey | NHURGYSRXYAHKJ-UHFFFAOYSA-N |
Product Overview
Chloromethyl 6-chloroundecanoate (CAS 80418-92-4), with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol. IUPAC: chloromethyl 6-chloroundecanoate.
Chemical Property Profile of Chloromethyl 6-chloroundecanoate
Property Insights of Chloromethyl 6-chloroundecanoate
The XLogP value of 4.8 indicates that Chloromethyl 6-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 6-chloroundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 6-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 6-chloroundecanoate?
The CAS number of Chloromethyl 6-chloroundecanoate is 80418-92-4.
What is the molecular formula of Chloromethyl 6-chloroundecanoate?
The molecular formula of Chloromethyl 6-chloroundecanoate is C12H22Cl2O2.
What is the molecular weight of Chloromethyl 6-chloroundecanoate?
The molecular weight of Chloromethyl 6-chloroundecanoate is 268.10 g/mol.
Where can I buy Chloromethyl 6-chloroundecanoate?
You can request a quote for Chloromethyl 6-chloroundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 6-chloroundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 6-chloroundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.