Octyl 4-chlorobutanoate
TL;DR: Octyl 4-chlorobutanoate (CAS 2323-82-2) is a chemical compound with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 4-chlorobutanoate
Also Known As: Octyl 4-chlorobutanoate, Octyl4-chlorobutanoate, Butanoic acid, 4-chloro, octyl ester, Butanoic acid,4-chloro-, octyl ester, RefChem:366925
| Molecular Formula | C12H23ClO2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 234.13866 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 2323-82-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCl |
| InChIKey | JLYKWKRZFITWIT-UHFFFAOYSA-N |
Product Overview
Octyl 4-chlorobutanoate (CAS 2323-82-2), with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol. IUPAC: octyl 4-chlorobutanoate.
Chemical Property Profile of Octyl 4-chlorobutanoate
Property Insights of Octyl 4-chlorobutanoate
The XLogP value of 4.3 indicates that Octyl 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, Octyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl 4-chlorobutanoate?
The CAS number of Octyl 4-chlorobutanoate is 2323-82-2.
What is the molecular formula of Octyl 4-chlorobutanoate?
The molecular formula of Octyl 4-chlorobutanoate is C12H23ClO2.
What is the molecular weight of Octyl 4-chlorobutanoate?
The molecular weight of Octyl 4-chlorobutanoate is 234.14 g/mol.
Where can I buy Octyl 4-chlorobutanoate?
You can request a quote for Octyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.