7-Chloroheptyl acetate
TL;DR: 7-Chloroheptyl acetate (CAS 84077-96-3) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloroheptyl acetate
Also Known As: 7-chloroheptyl acetate, 7-chloro-1-heptanol acetate, 1-Heptanol, 7-chloro, acetate
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 84077-96-3 |
|---|---|
| SMILES | CC(=O)OCCCCCCCCl |
| InChIKey | LXRXULXXDBOGAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloroheptyl acetate (CAS 84077-96-3), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: 7-chloroheptyl acetate.
Chemical Property Profile of 7-Chloroheptyl acetate
Property Insights of 7-Chloroheptyl acetate
The XLogP value of 3.1 indicates that 7-Chloroheptyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Chloroheptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloroheptyl acetate 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 7-Chloroheptyl acetate?
The CAS number of 7-Chloroheptyl acetate is 84077-96-3.
What is the molecular formula of 7-Chloroheptyl acetate?
The molecular formula of 7-Chloroheptyl acetate is C9H17ClO2.
What is the molecular weight of 7-Chloroheptyl acetate?
The molecular weight of 7-Chloroheptyl acetate is 192.09 g/mol.
Where can I buy 7-Chloroheptyl acetate?
You can request a quote for 7-Chloroheptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloroheptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloroheptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.