5-Chloroheptanoic acid, chloromethyl ester
TL;DR: 5-Chloroheptanoic acid, chloromethyl ester (CAS 80418-61-7) 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 5-chloroheptanoate
Also Known As: chloromethyl 5-chloroheptanoate, 5-Chloroheptanoic acid, chloromethyl ester, Heptanoic acid, 5-chloro-, chloromethyl ester, RefChem:302654
| 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 | 80418-61-7 |
|---|---|
| SMILES | CCC(CCCC(=O)OCCl)Cl |
| InChIKey | RERNZFAHTCTUJS-UHFFFAOYSA-N |
Product Overview
5-Chloroheptanoic acid, chloromethyl ester (CAS 80418-61-7), with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol. IUPAC: chloromethyl 5-chloroheptanoate.
Chemical Property Profile of 5-Chloroheptanoic acid, chloromethyl ester
Property Insights of 5-Chloroheptanoic acid, chloromethyl ester
The XLogP value of 3.0 indicates that 5-Chloroheptanoic acid, chloromethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Chloroheptanoic acid, chloromethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloroheptanoic acid, chloromethyl ester 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 5-Chloroheptanoic acid, chloromethyl ester?
The CAS number of 5-Chloroheptanoic acid, chloromethyl ester is 80418-61-7.
What is the molecular formula of 5-Chloroheptanoic acid, chloromethyl ester?
The molecular formula of 5-Chloroheptanoic acid, chloromethyl ester is C8H14Cl2O2.
What is the molecular weight of 5-Chloroheptanoic acid, chloromethyl ester?
The molecular weight of 5-Chloroheptanoic acid, chloromethyl ester is 212.04 g/mol.
Where can I buy 5-Chloroheptanoic acid, chloromethyl ester?
You can request a quote for 5-Chloroheptanoic acid, chloromethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloroheptanoic acid, chloromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloroheptanoic acid, chloromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.