BRN 4602974
TL;DR: BRN 4602974 (CAS 83408-52-0) is a chemical compound with molecular formula C27H17ClN4O3 and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzylideneamino)phenyl]-3-(4-chloro-3-nitrophenyl)quinazolin-4-one
Also Known As: 3-(4-Chloro-3-nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(4-chloro-3-nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-, 2-[4-(benzylideneamino)phenyl]-3-(4-chloro-3-nitrophenyl)quinazolin-4-one, BRN 4602974
| Molecular Formula | C27H17ClN4O3 |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.0989 |
| Heavy Atoms | 35 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 83408-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
| InChIKey | XZSRVPKUMQPDJA-UHFFFAOYSA-N |
Product Overview
BRN 4602974 (CAS 83408-52-0), with molecular formula C27H17ClN4O3 and molecular weight 480.10 g/mol. IUPAC: 2-[4-(benzylideneamino)phenyl]-3-(4-chloro-3-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of BRN 4602974
Property Insights of BRN 4602974
The XLogP value of 5.8 indicates that BRN 4602974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4602974. Following Lipinski's Rule of Five, BRN 4602974 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 4602974?
The CAS number of BRN 4602974 is 83408-52-0.
What is the molecular formula of BRN 4602974?
The molecular formula of BRN 4602974 is C27H17ClN4O3.
What is the molecular weight of BRN 4602974?
The molecular weight of BRN 4602974 is 480.10 g/mol.
Where can I buy BRN 4602974?
You can request a quote for BRN 4602974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4602974?
Yes, KEHONG BIO provides custom synthesis services for BRN 4602974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.