Octadecyl 4-chlorobutanoate
TL;DR: Octadecyl 4-chlorobutanoate (CAS 88395-96-4) is a chemical compound with molecular formula C22H43ClO2 and molecular weight 374.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 4-chlorobutanoate
Also Known As: Octadecyl 4-chlorobutanoate, 4-Chlorobutyric acid, octadecyl ester, Butanoic acid, 4-chloro, octadecyl ester, Butanoic acid, 4-chloro-, octadecyl ester, RefChem:366727
| Molecular Formula | C22H43ClO2 |
|---|---|
| Molecular Weight | 374.30 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 374.29517 |
| Heavy Atoms | 25 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 88395-96-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCCl |
| InChIKey | PENLVWCLIVDARD-UHFFFAOYSA-N |
Product Overview
Octadecyl 4-chlorobutanoate (CAS 88395-96-4), with molecular formula C22H43ClO2 and molecular weight 374.30 g/mol. IUPAC: octadecyl 4-chlorobutanoate.
Chemical Property Profile of Octadecyl 4-chlorobutanoate
Property Insights of Octadecyl 4-chlorobutanoate
The XLogP value of 9.7 indicates that Octadecyl 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, Octadecyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 4-chlorobutanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecyl 4-chlorobutanoate?
The CAS number of Octadecyl 4-chlorobutanoate is 88395-96-4.
What is the molecular formula of Octadecyl 4-chlorobutanoate?
The molecular formula of Octadecyl 4-chlorobutanoate is C22H43ClO2.
What is the molecular weight of Octadecyl 4-chlorobutanoate?
The molecular weight of Octadecyl 4-chlorobutanoate is 374.30 g/mol.
Where can I buy Octadecyl 4-chlorobutanoate?
You can request a quote for Octadecyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.