3,4-Diaminobenzophenone
TL;DR: 3,4-Diaminobenzophenone (CAS 58744-66-4) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diaminophenyl)-phenylmethanone
Also Known As: 3,4-Diaminobenzophenone, (3,4-Diaminophenyl)(phenyl)methanone, 4-benzoylbenzene-1,2-diamine, (3,4-diaminophenyl)phenylmethanone, 2-Amino-4-benzoylaniline
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 58744-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N |
| InChIKey | RXCOGDYOZQGGMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diaminobenzophenone (CAS 58744-66-4), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: (3,4-diaminophenyl)-phenylmethanone.
Chemical Property Profile of 3,4-Diaminobenzophenone
Property Insights of 3,4-Diaminobenzophenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diaminobenzophenone. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diaminobenzophenone. Following Lipinski's Rule of Five, 3,4-Diaminobenzophenone has 2 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 3,4-Diaminobenzophenone?
The CAS number of 3,4-Diaminobenzophenone is 58744-66-4.
What is the molecular formula of 3,4-Diaminobenzophenone?
The molecular formula of 3,4-Diaminobenzophenone is C13H12N2O.
What is the molecular weight of 3,4-Diaminobenzophenone?
The molecular weight of 3,4-Diaminobenzophenone is 212.09 g/mol.
Where can I buy 3,4-Diaminobenzophenone?
You can request a quote for 3,4-Diaminobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diaminobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diaminobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.