Hexyl 2-chloropropanoate
TL;DR: Hexyl 2-chloropropanoate (CAS 86711-72-0) 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 2-chloropropanoate
Also Known As: Hexyl 2-chloropropanoate, Propanoic acid, 2-chloro-, hexyl ester, Propanoic acid,2-chloro-,hexyl ester, Propanoic acid, 2-chloro, hexyl ester, 4-Methyl-11H-indeno[1,2-b][1,2,5]thiadiazolo[3,4-f]quinoxalin-11-one
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 86711-72-0 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)Cl |
| InChIKey | CKKHJCOIGGVMAZ-UHFFFAOYSA-N |
Product Overview
Hexyl 2-chloropropanoate (CAS 86711-72-0), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: hexyl 2-chloropropanoate.
Chemical Property Profile of Hexyl 2-chloropropanoate
Property Insights of Hexyl 2-chloropropanoate
The XLogP value of 3.5 indicates that Hexyl 2-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-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 2-chloropropanoate?
The CAS number of Hexyl 2-chloropropanoate is 86711-72-0.
What is the molecular formula of Hexyl 2-chloropropanoate?
The molecular formula of Hexyl 2-chloropropanoate is C9H17ClO2.
What is the molecular weight of Hexyl 2-chloropropanoate?
The molecular weight of Hexyl 2-chloropropanoate is 192.09 g/mol.
Where can I buy Hexyl 2-chloropropanoate?
You can request a quote for Hexyl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.