Acetic acid, trichloro-, 3-hexenyl ester
TL;DR: Acetic acid, trichloro-, 3-hexenyl ester (CAS 114607-28-2) is a chemical compound with molecular formula C8H11Cl3O2 and molecular weight 243.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2,2,2-trichloroacetate
Also Known As: Hex-3-en-1-yl trichloroacetate, Acetic acid, trichloro-, 3-hexenyl ester, hex-3-enyl 2,2,2-trichloroacetate, Acetic acid,trichloro-,3-hexenyl ester
| Molecular Formula | C8H11Cl3O2 |
|---|---|
| Molecular Weight | 243.98 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.98247 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 114607-28-2 |
|---|---|
| SMILES | CCC=CCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | HIHSJHFAKCBBNH-UHFFFAOYSA-N |
Product Overview
Acetic acid, trichloro-, 3-hexenyl ester (CAS 114607-28-2), with molecular formula C8H11Cl3O2 and molecular weight 243.98 g/mol. IUPAC: hex-3-enyl 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, trichloro-, 3-hexenyl ester
Property Insights of Acetic acid, trichloro-, 3-hexenyl ester
The XLogP value of 3.7 indicates that Acetic acid, trichloro-, 3-hexenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trichloro-, 3-hexenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trichloro-, 3-hexenyl ester 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 Acetic acid, trichloro-, 3-hexenyl ester?
The CAS number of Acetic acid, trichloro-, 3-hexenyl ester is 114607-28-2.
What is the molecular formula of Acetic acid, trichloro-, 3-hexenyl ester?
The molecular formula of Acetic acid, trichloro-, 3-hexenyl ester is C8H11Cl3O2.
What is the molecular weight of Acetic acid, trichloro-, 3-hexenyl ester?
The molecular weight of Acetic acid, trichloro-, 3-hexenyl ester is 243.98 g/mol.
Where can I buy Acetic acid, trichloro-, 3-hexenyl ester?
You can request a quote for Acetic acid, trichloro-, 3-hexenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trichloro-, 3-hexenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trichloro-, 3-hexenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.