Benzene-1,3-diamine, 4,6-dibenzoyl-
TL;DR: Benzene-1,3-diamine, 4,6-dibenzoyl- (CAS 53793-65-0) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-diamino-5-benzoylphenyl)-phenylmethanone
Also Known As: 4,6-Dibenzoyl-m-xylol, Dibenzoyl-m-Phenylendiamin, 4,6-DIBENZOYLBENZENE-1,3-DIAMINE, Benzene-1,3-diamine, 4,6-dibenzoyl-, 4,6-Dibenzoyl-1,3-phenylenediamine
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 53793-65-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2N)N)C(=O)C3=CC=CC=C3 |
| InChIKey | GSDOPSLIIMWICQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,3-diamine, 4,6-dibenzoyl- (CAS 53793-65-0), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: (2,4-diamino-5-benzoylphenyl)-phenylmethanone.
Chemical Property Profile of Benzene-1,3-diamine, 4,6-dibenzoyl-
Property Insights of Benzene-1,3-diamine, 4,6-dibenzoyl-
The XLogP value of 4.3 indicates that Benzene-1,3-diamine, 4,6-dibenzoyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,3-diamine, 4,6-dibenzoyl-. Following Lipinski's Rule of Five, Benzene-1,3-diamine, 4,6-dibenzoyl- has 2 hydrogen bond donor(s) and 4 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 Benzene-1,3-diamine, 4,6-dibenzoyl-?
The CAS number of Benzene-1,3-diamine, 4,6-dibenzoyl- is 53793-65-0.
What is the molecular formula of Benzene-1,3-diamine, 4,6-dibenzoyl-?
The molecular formula of Benzene-1,3-diamine, 4,6-dibenzoyl- is C20H16N2O2.
What is the molecular weight of Benzene-1,3-diamine, 4,6-dibenzoyl-?
The molecular weight of Benzene-1,3-diamine, 4,6-dibenzoyl- is 316.12 g/mol.
Where can I buy Benzene-1,3-diamine, 4,6-dibenzoyl-?
You can request a quote for Benzene-1,3-diamine, 4,6-dibenzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,3-diamine, 4,6-dibenzoyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-diamine, 4,6-dibenzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.