Hexyl 3-chloropropanoate
TL;DR: Hexyl 3-chloropropanoate (CAS 63505-49-7) 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.
hexyl 3-chloropropanoate
Also Known As: Hexyl 3-chloropropanoate, Hexyl 3-chloropropanoate #, 3-Chloropropionic acid, hexyl ester, 3-Chloropropionic acid,hexyl ester, Propanoic acid, 3-chloro, hexyl ester
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.9 |
| 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 | 63505-49-7 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCl |
| InChIKey | PYOAHWWMEFRKLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 3-chloropropanoate (CAS 63505-49-7), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: hexyl 3-chloropropanoate.
Chemical Property Profile of Hexyl 3-chloropropanoate
Property Insights of Hexyl 3-chloropropanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 3-chloropropanoate 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 Hexyl 3-chloropropanoate?
The CAS number of Hexyl 3-chloropropanoate is 63505-49-7.
What is the molecular formula of Hexyl 3-chloropropanoate?
The molecular formula of Hexyl 3-chloropropanoate is C9H17ClO2.
What is the molecular weight of Hexyl 3-chloropropanoate?
The molecular weight of Hexyl 3-chloropropanoate is 192.09 g/mol.
Where can I buy Hexyl 3-chloropropanoate?
You can request a quote for Hexyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.