Octadecyl 3-chloropropanoate
TL;DR: Octadecyl 3-chloropropanoate (CAS 88168-99-4) is a chemical compound with molecular formula C21H41ClO2 and molecular weight 360.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-chloropropanoate
Also Known As: Octadecyl 3-chloropropanoate, Octadecyl 3-chloropropanoate #, 3-Chloropropionic acid, octadecyl ester, Propanoic acid, 3-chloro, octadecyl ester, Propanoic acid, 3-chloro-, octadecyl ester
| Molecular Formula | C21H41ClO2 |
|---|---|
| Molecular Weight | 360.28 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 360.2795 |
| Heavy Atoms | 24 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 88168-99-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCl |
| InChIKey | IWNDNJGFFCNPKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl 3-chloropropanoate (CAS 88168-99-4), with molecular formula C21H41ClO2 and molecular weight 360.28 g/mol. IUPAC: octadecyl 3-chloropropanoate.
Chemical Property Profile of Octadecyl 3-chloropropanoate
Property Insights of Octadecyl 3-chloropropanoate
The XLogP value of 9.4 indicates that Octadecyl 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, Octadecyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 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 Octadecyl 3-chloropropanoate?
The CAS number of Octadecyl 3-chloropropanoate is 88168-99-4.
What is the molecular formula of Octadecyl 3-chloropropanoate?
The molecular formula of Octadecyl 3-chloropropanoate is C21H41ClO2.
What is the molecular weight of Octadecyl 3-chloropropanoate?
The molecular weight of Octadecyl 3-chloropropanoate is 360.28 g/mol.
Where can I buy Octadecyl 3-chloropropanoate?
You can request a quote for Octadecyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.