Hexyl 4-chlorobutanoate
TL;DR: Hexyl 4-chlorobutanoate (CAS 3153-31-9) is a chemical compound with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-chlorobutanoate
Also Known As: Hexyl 4-chlorobutanoate, n-hexyl 4-chlorobutyrate, Butanoic acid, 4-chloro-, hexyl ester, AI3-33393, Butanoic acid,4-chloro-,hexyl ester
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 3153-31-9 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCCl |
| InChIKey | NJJCFVMCDUBLGH-UHFFFAOYSA-N |
Product Overview
Hexyl 4-chlorobutanoate (CAS 3153-31-9), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: hexyl 4-chlorobutanoate.
Chemical Property Profile of Hexyl 4-chlorobutanoate
Property Insights of Hexyl 4-chlorobutanoate
The XLogP value of 3.3 indicates that Hexyl 4-chlorobutanoate 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 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 4-chlorobutanoate 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 4-chlorobutanoate?
The CAS number of Hexyl 4-chlorobutanoate is 3153-31-9.
What is the molecular formula of Hexyl 4-chlorobutanoate?
The molecular formula of Hexyl 4-chlorobutanoate is C10H19ClO2.
What is the molecular weight of Hexyl 4-chlorobutanoate?
The molecular weight of Hexyl 4-chlorobutanoate is 206.11 g/mol.
Where can I buy Hexyl 4-chlorobutanoate?
You can request a quote for Hexyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.