4,4'-Dichloro-3-nitrobenzophenone
TL;DR: 4,4'-Dichloro-3-nitrobenzophenone (CAS 31431-17-1) is a chemical compound with molecular formula C13H7Cl2NO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)-(4-chlorophenyl)methanone
Also Known As: 4,4'-Dichloro-3-nitrobenzophenone, (4-chloro-3-nitrophenyl)-(4-chlorophenyl)methanone, 4,4'-Dichlor-3-nitro-benzophenon, 4,4//'-Dichloro-3-nitrobenzophenone, 4,4/'-Dichloro-3-nitrobenzophenone
| Molecular Formula | C13H7Cl2NO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.9803 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 31431-17-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl |
| InChIKey | ZUFPZMPLEYZRJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dichloro-3-nitrobenzophenone (CAS 31431-17-1), with molecular formula C13H7Cl2NO3 and molecular weight 294.98 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(4-chlorophenyl)methanone.
Chemical Property Profile of 4,4'-Dichloro-3-nitrobenzophenone
Property Insights of 4,4'-Dichloro-3-nitrobenzophenone
The XLogP value of 4.2 indicates that 4,4'-Dichloro-3-nitrobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dichloro-3-nitrobenzophenone. Following Lipinski's Rule of Five, 4,4'-Dichloro-3-nitrobenzophenone has 0 hydrogen bond donor(s) and 3 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 4,4'-Dichloro-3-nitrobenzophenone?
The CAS number of 4,4'-Dichloro-3-nitrobenzophenone is 31431-17-1.
What is the molecular formula of 4,4'-Dichloro-3-nitrobenzophenone?
The molecular formula of 4,4'-Dichloro-3-nitrobenzophenone is C13H7Cl2NO3.
What is the molecular weight of 4,4'-Dichloro-3-nitrobenzophenone?
The molecular weight of 4,4'-Dichloro-3-nitrobenzophenone is 294.98 g/mol.
Where can I buy 4,4'-Dichloro-3-nitrobenzophenone?
You can request a quote for 4,4'-Dichloro-3-nitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dichloro-3-nitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dichloro-3-nitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.