Chloromethyl heptanoate
TL;DR: Chloromethyl heptanoate (CAS 76068-79-6) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl heptanoate
Also Known As: Chloromethyl heptanoate, chloromethyl n-heptanoate, Heptanoic acid, chloromethyl ester, Heptansaeure-chlormethylester, Heptanoic acid chloromethyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 76068-79-6 |
|---|---|
| SMILES | CCCCCCC(=O)OCCl |
| InChIKey | JUBQFNSRJOLWED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl heptanoate (CAS 76068-79-6), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: chloromethyl heptanoate.
Chemical Property Profile of Chloromethyl heptanoate
Property Insights of Chloromethyl heptanoate
The XLogP value of 3.3 indicates that Chloromethyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl heptanoate 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 heptanoate?
The CAS number of Chloromethyl heptanoate is 76068-79-6.
What is the molecular formula of Chloromethyl heptanoate?
The molecular formula of Chloromethyl heptanoate is C8H15ClO2.
What is the molecular weight of Chloromethyl heptanoate?
The molecular weight of Chloromethyl heptanoate is 178.08 g/mol.
Where can I buy Chloromethyl heptanoate?
You can request a quote for Chloromethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.