Chloromethyl 4-chloroheptanoate
TL;DR: Chloromethyl 4-chloroheptanoate (CAS 80418-60-6) is a chemical compound with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 4-chloroheptanoate
Also Known As: Chloromethyl 4-chloroheptanoate, 4-Chloroheptanoic acid, chloromethyl ester, Heptanoic acid, 4-chloro-, chloromethyl ester, RefChem:333836
| Molecular Formula | C8H14Cl2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.03708 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 80418-60-6 |
|---|---|
| SMILES | CCCC(CCC(=O)OCCl)Cl |
| InChIKey | ZEZMVWNYGQAVFR-UHFFFAOYSA-N |
Product Overview
Chloromethyl 4-chloroheptanoate (CAS 80418-60-6), with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol. IUPAC: chloromethyl 4-chloroheptanoate.
Chemical Property Profile of Chloromethyl 4-chloroheptanoate
Property Insights of Chloromethyl 4-chloroheptanoate
The XLogP value of 3.0 indicates that Chloromethyl 4-chloroheptanoate 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-chloroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 4-chloroheptanoate 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 4-chloroheptanoate?
The CAS number of Chloromethyl 4-chloroheptanoate is 80418-60-6.
What is the molecular formula of Chloromethyl 4-chloroheptanoate?
The molecular formula of Chloromethyl 4-chloroheptanoate is C8H14Cl2O2.
What is the molecular weight of Chloromethyl 4-chloroheptanoate?
The molecular weight of Chloromethyl 4-chloroheptanoate is 212.04 g/mol.
Where can I buy Chloromethyl 4-chloroheptanoate?
You can request a quote for Chloromethyl 4-chloroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 4-chloroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 4-chloroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.