Hexadecyl 3-chloropropanoate
TL;DR: Hexadecyl 3-chloropropanoate (CAS 53312-70-2) is a chemical compound with molecular formula C19H37ClO2 and molecular weight 332.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 3-chloropropanoate
Also Known As: Hexadecyl 3-chloropropanoate, Hexadecyl-3-chlorpropionat, Hexadecyl 3-chloropropanoate #, 3-Chloropropionic acid, hexadecyl ester, Propanoic acid, 3-chloro, hexadecyl ester
| Molecular Formula | C19H37ClO2 |
|---|---|
| Molecular Weight | 332.25 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 332.2482 |
| Heavy Atoms | 22 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 53312-70-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCl |
| InChIKey | HKMCSNOMIKTPRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl 3-chloropropanoate (CAS 53312-70-2), with molecular formula C19H37ClO2 and molecular weight 332.25 g/mol. IUPAC: hexadecyl 3-chloropropanoate.
Chemical Property Profile of Hexadecyl 3-chloropropanoate
Property Insights of Hexadecyl 3-chloropropanoate
The XLogP value of 8.3 indicates that Hexadecyl 3-chloropropanoate 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-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 3-chloropropanoate 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-chloropropanoate?
The CAS number of Hexadecyl 3-chloropropanoate is 53312-70-2.
What is the molecular formula of Hexadecyl 3-chloropropanoate?
The molecular formula of Hexadecyl 3-chloropropanoate is C19H37ClO2.
What is the molecular weight of Hexadecyl 3-chloropropanoate?
The molecular weight of Hexadecyl 3-chloropropanoate is 332.25 g/mol.
Where can I buy Hexadecyl 3-chloropropanoate?
You can request a quote for Hexadecyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.