Hexadecyl 4-chlorobutyrate
TL;DR: Hexadecyl 4-chlorobutyrate (CAS 68516-31-4) is a chemical compound with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 4-chlorobutanoate
Also Known As: Hexadecyl 4-chlorobutanoate, Hexadecyl 4-chlorobutyrate, hexadecyl4-chlorobutyrate, Butanoic acid, 4-chloro-, hexadecyl ester, 4-Chlorobutanoic acid hexadecyl ester
| Molecular Formula | C20H39ClO2 |
|---|---|
| Molecular Weight | 346.26 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 346.26385 |
| Heavy Atoms | 23 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 68516-31-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCCl |
| InChIKey | AIPUZHUOTILFRS-UHFFFAOYSA-N |
Product Overview
Hexadecyl 4-chlorobutyrate (CAS 68516-31-4), with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol. IUPAC: hexadecyl 4-chlorobutanoate.
Chemical Property Profile of Hexadecyl 4-chlorobutyrate
Property Insights of Hexadecyl 4-chlorobutyrate
The XLogP value of 8.6 indicates that Hexadecyl 4-chlorobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl 4-chlorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 4-chlorobutyrate 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 Hexadecyl 4-chlorobutyrate?
The CAS number of Hexadecyl 4-chlorobutyrate is 68516-31-4.
What is the molecular formula of Hexadecyl 4-chlorobutyrate?
The molecular formula of Hexadecyl 4-chlorobutyrate is C20H39ClO2.
What is the molecular weight of Hexadecyl 4-chlorobutyrate?
The molecular weight of Hexadecyl 4-chlorobutyrate is 346.26 g/mol.
Where can I buy Hexadecyl 4-chlorobutyrate?
You can request a quote for Hexadecyl 4-chlorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 4-chlorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 4-chlorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.