(3-Chloro-2-octadecanoyloxypropyl) octadecanoate
TL;DR: (3-Chloro-2-octadecanoyloxypropyl) octadecanoate (CAS 93261-68-8) is a chemical compound with molecular formula C39H75ClO4 and molecular weight 642.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-octadecanoyloxypropyl) octadecanoate
Also Known As: rac-1,2-Distearoyl-3-chloropropanediol, 3-chloropropane-1,2-diyl dioctadecanoate, (3-chloro-2-octadecanoyloxypropyl) octadecanoate, 3-Chloropropane-1,2-diyl distearate, 3-Chloro-1,2-propanediol Distearate
| Molecular Formula | C39H75ClO4 |
|---|---|
| Molecular Weight | 642.54 g/mol |
| LogP | 17.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 642.5354 |
| Heavy Atoms | 44 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 93261-68-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | YLTQZUQMHKFAHD-UHFFFAOYSA-N |
Product Overview
(3-Chloro-2-octadecanoyloxypropyl) octadecanoate (CAS 93261-68-8), with molecular formula C39H75ClO4 and molecular weight 642.54 g/mol. IUPAC: (3-chloro-2-octadecanoyloxypropyl) octadecanoate.
Chemical Property Profile of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate
Property Insights of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate
The XLogP value of 17.5 indicates that (3-Chloro-2-octadecanoyloxypropyl) octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (3-Chloro-2-octadecanoyloxypropyl) octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-2-octadecanoyloxypropyl) octadecanoate has 0 hydrogen bond donor(s) and 4 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-octadecanoyloxypropyl) octadecanoate?
The CAS number of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate is 93261-68-8.
What is the molecular formula of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate?
The molecular formula of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate is C39H75ClO4.
What is the molecular weight of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate?
The molecular weight of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate is 642.54 g/mol.
Where can I buy (3-Chloro-2-octadecanoyloxypropyl) octadecanoate?
You can request a quote for (3-Chloro-2-octadecanoyloxypropyl) octadecanoate 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-octadecanoyloxypropyl) octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-octadecanoyloxypropyl) octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.