1,3-dichloropropan-2-yl (Z)-octadec-9-enoate
TL;DR: 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate (CAS 39202-30-7) is a chemical compound with molecular formula C21H38Cl2O2 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl octadec-9-enoate
Also Known As: 1,3-dichloropropan-2-yl (Z)-octadec-9-enoat, 1,3-dichloropropan-2-yl octadec-9-enoate, 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate, 9-Octadecenoic acid, (Z)-, 2-chloro-1-(chloromethyl)ethyl ester
| Molecular Formula | C21H38Cl2O2 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 392.22488 |
| Heavy Atoms | 25 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 39202-30-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(CCl)CCl |
| InChIKey | LFRZDYGJJALHKP-UHFFFAOYSA-N |
Product Overview
1,3-dichloropropan-2-yl (Z)-octadec-9-enoate (CAS 39202-30-7), with molecular formula C21H38Cl2O2 and molecular weight 392.22 g/mol. IUPAC: 1,3-dichloropropan-2-yl octadec-9-enoate.
Chemical Property Profile of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate
Property Insights of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate
The XLogP value of 8.8 indicates that 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate 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 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate?
The CAS number of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate is 39202-30-7.
What is the molecular formula of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate?
The molecular formula of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate is C21H38Cl2O2.
What is the molecular weight of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate?
The molecular weight of 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate is 392.22 g/mol.
Where can I buy 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate?
You can request a quote for 1,3-dichloropropan-2-yl (Z)-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 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dichloropropan-2-yl (Z)-octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.