Hexadecyl 3-chlorobutanoate
TL;DR: Hexadecyl 3-chlorobutanoate (CAS 88395-91-9) 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 3-chlorobutanoate
Also Known As: Hexadecyl 3-chlorobutanoate, Butanoic acid, 3-chloro, hexadecyl ester, Butanoic acid, 3-chloro-, hexadecyl ester, RefChem:347475
| Molecular Formula | C20H39ClO2 |
|---|---|
| Molecular Weight | 346.26 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 346.26385 |
| Heavy Atoms | 23 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 88395-91-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CC(C)Cl |
| InChIKey | UGGCAGSELNTZDI-UHFFFAOYSA-N |
Product Overview
Hexadecyl 3-chlorobutanoate (CAS 88395-91-9), with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol. IUPAC: hexadecyl 3-chlorobutanoate.
Chemical Property Profile of Hexadecyl 3-chlorobutanoate
Property Insights of Hexadecyl 3-chlorobutanoate
The XLogP value of 8.7 indicates that Hexadecyl 3-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, Hexadecyl 3-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 3-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 Hexadecyl 3-chlorobutanoate?
The CAS number of Hexadecyl 3-chlorobutanoate is 88395-91-9.
What is the molecular formula of Hexadecyl 3-chlorobutanoate?
The molecular formula of Hexadecyl 3-chlorobutanoate is C20H39ClO2.
What is the molecular weight of Hexadecyl 3-chlorobutanoate?
The molecular weight of Hexadecyl 3-chlorobutanoate is 346.26 g/mol.
Where can I buy Hexadecyl 3-chlorobutanoate?
You can request a quote for Hexadecyl 3-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 3-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 3-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.