Chloromethyl 3-chlorononanoate
TL;DR: Chloromethyl 3-chlorononanoate (CAS 80418-72-0) is a chemical compound with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 3-chlorononanoate
Also Known As: Chloromethyl 3-chlorononanoate, 3-Chlorononanoic acid, chloromethyl ester, Nonanoic acid, 3-chloro-, chloromethyl ester, RefChem:333830
| Molecular Formula | C10H18Cl2O2 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.06839 |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 80418-72-0 |
|---|---|
| SMILES | CCCCCCC(CC(=O)OCCl)Cl |
| InChIKey | QADYLIOQVFEZKX-UHFFFAOYSA-N |
Product Overview
Chloromethyl 3-chlorononanoate (CAS 80418-72-0), with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol. IUPAC: chloromethyl 3-chlorononanoate.
Chemical Property Profile of Chloromethyl 3-chlorononanoate
Property Insights of Chloromethyl 3-chlorononanoate
The XLogP value of 4.3 indicates that Chloromethyl 3-chlorononanoate 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 3-chlorononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 3-chlorononanoate 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 3-chlorononanoate?
The CAS number of Chloromethyl 3-chlorononanoate is 80418-72-0.
What is the molecular formula of Chloromethyl 3-chlorononanoate?
The molecular formula of Chloromethyl 3-chlorononanoate is C10H18Cl2O2.
What is the molecular weight of Chloromethyl 3-chlorononanoate?
The molecular weight of Chloromethyl 3-chlorononanoate is 240.07 g/mol.
Where can I buy Chloromethyl 3-chlorononanoate?
You can request a quote for Chloromethyl 3-chlorononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 3-chlorononanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 3-chlorononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.