Trichloromethylstyrene
TL;DR: Trichloromethylstyrene (CAS 76707-82-9) is a chemical compound with molecular formula C9H7Cl3 and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3,3,3-trichloroprop-1-enyl]benzene
Also Known As: benzene, Trichloromethylstyrene, EINECS 262-805-5, (3,3,3-trichloroprop-1-en-1-yl)benzene, (3,3,3-Trichloro-1-propenyl)benzene
| Molecular Formula | C9H7Cl3 |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 4.07 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.96133 |
| Heavy Atoms | 12 |
| Complexity | 258.85217 |
Chemical Identifiers
| CAS Number | 76707-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(Cl)(Cl)Cl |
Product Overview
Trichloromethylstyrene (CAS 76707-82-9), with molecular formula C9H7Cl3 and molecular weight 219.96 g/mol. IUPAC: [(E)-3,3,3-trichloroprop-1-enyl]benzene.
Chemical Property Profile of Trichloromethylstyrene
Property Insights of Trichloromethylstyrene
The XLogP value of 4.07 indicates that Trichloromethylstyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Trichloromethylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloromethylstyrene has 0 hydrogen bond donor(s) and 0 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 Trichloromethylstyrene?
The CAS number of Trichloromethylstyrene is 76707-82-9.
What is the molecular formula of Trichloromethylstyrene?
The molecular formula of Trichloromethylstyrene is C9H7Cl3.
What is the molecular weight of Trichloromethylstyrene?
The molecular weight of Trichloromethylstyrene is 219.96 g/mol.
Where can I buy Trichloromethylstyrene?
You can request a quote for Trichloromethylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloromethylstyrene?
Yes, KEHONG BIO provides custom synthesis services for Trichloromethylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.