3,3',4'-Trichlorobenzophenone
TL;DR: 3,3',4'-Trichlorobenzophenone (CAS 812684-89-2) is a chemical compound with molecular formula C13H7Cl3O and molecular weight 283.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-(3,4-dichlorophenyl)methanone
Also Known As: 3,3',4'-Trichlorobenzophenone, 4'-O-MethylbroussochalconeB, (3-chlorophenyl)-(3,4-dichlorophenyl)methanone, 3,3',4'-TRICHLOROBENZOPHENONE,97%, (3-chlorophenyl)(3,4-dichlorophenyl)methanone
| Molecular Formula | C13H7Cl3O |
|---|---|
| Molecular Weight | 283.96 g/mol |
| LogP | 4.8778 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.95624 |
| Heavy Atoms | 17 |
| Complexity | 578.6273 |
Chemical Identifiers
| CAS Number | 812684-89-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
3,3',4'-Trichlorobenzophenone (CAS 812684-89-2), with molecular formula C13H7Cl3O and molecular weight 283.96 g/mol. IUPAC: (3-chlorophenyl)-(3,4-dichlorophenyl)methanone.
Chemical Property Profile of 3,3',4'-Trichlorobenzophenone
Property Insights of 3,3',4'-Trichlorobenzophenone
The XLogP value of 4.8778 indicates that 3,3',4'-Trichlorobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3,3',4'-Trichlorobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',4'-Trichlorobenzophenone has 0 hydrogen bond donor(s) and 1 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',4'-Trichlorobenzophenone?
The CAS number of 3,3',4'-Trichlorobenzophenone is 812684-89-2.
What is the molecular formula of 3,3',4'-Trichlorobenzophenone?
The molecular formula of 3,3',4'-Trichlorobenzophenone is C13H7Cl3O.
What is the molecular weight of 3,3',4'-Trichlorobenzophenone?
The molecular weight of 3,3',4'-Trichlorobenzophenone is 283.96 g/mol.
Where can I buy 3,3',4'-Trichlorobenzophenone?
You can request a quote for 3,3',4'-Trichlorobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',4'-Trichlorobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 3,3',4'-Trichlorobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.