Heptyl chloroacetate
TL;DR: Heptyl chloroacetate (CAS 34589-22-5) 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.
heptyl 2-chloroacetate
Also Known As: Heptyl chloroacetate, heptyl 2-chloroacetate, n-Heptylmonochloracetat, 1-Heptanol, chloroacetate, Chloroacetic acid, heptyl ester
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.6 |
| 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 | 34589-22-5 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCl |
| InChIKey | JUFPTDUONWPUBM-UHFFFAOYSA-N |
Product Overview
Heptyl chloroacetate (CAS 34589-22-5), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: heptyl 2-chloroacetate.
Chemical Property Profile of Heptyl chloroacetate
Property Insights of Heptyl chloroacetate
The XLogP value of 3.6 indicates that Heptyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl chloroacetate 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 Heptyl chloroacetate?
The CAS number of Heptyl chloroacetate is 34589-22-5.
What is the molecular formula of Heptyl chloroacetate?
The molecular formula of Heptyl chloroacetate is C9H17ClO2.
What is the molecular weight of Heptyl chloroacetate?
The molecular weight of Heptyl chloroacetate is 192.09 g/mol.
Where can I buy Heptyl chloroacetate?
You can request a quote for Heptyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.