Hexanoic acid, 3-chloropropyl ester
TL;DR: Hexanoic acid, 3-chloropropyl ester (CAS 927-50-4) 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.
3-chloropropyl hexanoate
Also Known As: 3-chloropropyl hexanoate, Hexanoic acid, 3-chloropropyl ester, 1-Propanol, 3-chloro, hexanoate, Hexanoic acid,3-chloropropyl ester
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.0 |
| 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 | 927-50-4 |
|---|---|
| SMILES | CCCCCC(=O)OCCCCl |
| InChIKey | QBAPUBKDRNQWDF-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 3-chloropropyl ester (CAS 927-50-4), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: 3-chloropropyl hexanoate.
Chemical Property Profile of Hexanoic acid, 3-chloropropyl ester
Property Insights of Hexanoic acid, 3-chloropropyl ester
The XLogP value of 3.0 indicates that Hexanoic acid, 3-chloropropyl 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, Hexanoic acid, 3-chloropropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3-chloropropyl 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 Hexanoic acid, 3-chloropropyl ester?
The CAS number of Hexanoic acid, 3-chloropropyl ester is 927-50-4.
What is the molecular formula of Hexanoic acid, 3-chloropropyl ester?
The molecular formula of Hexanoic acid, 3-chloropropyl ester is C9H17ClO2.
What is the molecular weight of Hexanoic acid, 3-chloropropyl ester?
The molecular weight of Hexanoic acid, 3-chloropropyl ester is 192.09 g/mol.
Where can I buy Hexanoic acid, 3-chloropropyl ester?
You can request a quote for Hexanoic acid, 3-chloropropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 3-chloropropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 3-chloropropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.