3,3-Dichloroprop-2-en-1-yl hexanoate
TL;DR: 3,3-Dichloroprop-2-en-1-yl hexanoate (CAS 93404-30-9) is a chemical compound with molecular formula C9H14Cl2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloroprop-2-enyl hexanoate
Also Known As: 3,3-dichloroprop-2-enyl Hexanoate, 3,3-dichloroprop-2-en-1-yl hexanoate, 3,3-dichloro-2-propenyl hexanoate, Hexanoic acid, 3,3-dichloro-2-propen-1-yl ester
| Molecular Formula | C9H14Cl2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.03708 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 93404-30-9 |
|---|---|
| SMILES | CCCCCC(=O)OCC=C(Cl)Cl |
| InChIKey | AKDGXLJXRYKOJK-UHFFFAOYSA-N |
Product Overview
3,3-Dichloroprop-2-en-1-yl hexanoate (CAS 93404-30-9), with molecular formula C9H14Cl2O2 and molecular weight 224.04 g/mol. IUPAC: 3,3-dichloroprop-2-enyl hexanoate.
Chemical Property Profile of 3,3-Dichloroprop-2-en-1-yl hexanoate
Property Insights of 3,3-Dichloroprop-2-en-1-yl hexanoate
The XLogP value of 3.8 indicates that 3,3-Dichloroprop-2-en-1-yl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Dichloroprop-2-en-1-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloroprop-2-en-1-yl hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-Dichloroprop-2-en-1-yl hexanoate?
The CAS number of 3,3-Dichloroprop-2-en-1-yl hexanoate is 93404-30-9.
What is the molecular formula of 3,3-Dichloroprop-2-en-1-yl hexanoate?
The molecular formula of 3,3-Dichloroprop-2-en-1-yl hexanoate is C9H14Cl2O2.
What is the molecular weight of 3,3-Dichloroprop-2-en-1-yl hexanoate?
The molecular weight of 3,3-Dichloroprop-2-en-1-yl hexanoate is 224.04 g/mol.
Where can I buy 3,3-Dichloroprop-2-en-1-yl hexanoate?
You can request a quote for 3,3-Dichloroprop-2-en-1-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloroprop-2-en-1-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloroprop-2-en-1-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.