(3-Chloro-2-hydroxypropyl) octadec-9-enoate
TL;DR: (3-Chloro-2-hydroxypropyl) octadec-9-enoate (CAS 10311-82-7) is a chemical compound with molecular formula C21H39ClO3 and molecular weight 374.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl) octadec-9-enoate
Also Known As: rac 1-Oleoyl-3-chloropropanediol, 3-Chloro-2-hydroxypropyl oleate, 1-OLEOYL-3-CHLOROPROPANEDIOL, Oleic acid, 3-chloro-2-hydroxypropyl ester, (3-chloro-2-hydroxypropyl) octadec-9-enoate
| Molecular Formula | C21H39ClO3 |
|---|---|
| Molecular Weight | 374.26 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 374.25876 |
| Heavy Atoms | 25 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 10311-82-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CCl)O |
| InChIKey | GQUYTVRTHVOZHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Chloro-2-hydroxypropyl) octadec-9-enoate (CAS 10311-82-7), with molecular formula C21H39ClO3 and molecular weight 374.26 g/mol. IUPAC: (3-chloro-2-hydroxypropyl) octadec-9-enoate.
Chemical Property Profile of (3-Chloro-2-hydroxypropyl) octadec-9-enoate
Property Insights of (3-Chloro-2-hydroxypropyl) octadec-9-enoate
The XLogP value of 7.6 indicates that (3-Chloro-2-hydroxypropyl) octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (3-Chloro-2-hydroxypropyl) octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-2-hydroxypropyl) octadec-9-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Chloro-2-hydroxypropyl) octadec-9-enoate?
The CAS number of (3-Chloro-2-hydroxypropyl) octadec-9-enoate is 10311-82-7.
What is the molecular formula of (3-Chloro-2-hydroxypropyl) octadec-9-enoate?
The molecular formula of (3-Chloro-2-hydroxypropyl) octadec-9-enoate is C21H39ClO3.
What is the molecular weight of (3-Chloro-2-hydroxypropyl) octadec-9-enoate?
The molecular weight of (3-Chloro-2-hydroxypropyl) octadec-9-enoate is 374.26 g/mol.
Where can I buy (3-Chloro-2-hydroxypropyl) octadec-9-enoate?
You can request a quote for (3-Chloro-2-hydroxypropyl) octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-2-hydroxypropyl) octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-hydroxypropyl) octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.