BRN 0858086
TL;DR: BRN 0858086 (CAS 36934-38-0) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one
Also Known As: 5-24-03-00141 (Beilstein Handbook Reference), 3-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(4-(((2-hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-, 2-methyl-3-[4-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]quinazolin-4-one, BRN 0858086
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 36934-38-0 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O |
| InChIKey | YEZIBEWAUYSBJA-UHFFFAOYSA-N |
Product Overview
BRN 0858086 (CAS 36934-38-0), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: 3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one.
Chemical Property Profile of BRN 0858086
Property Insights of BRN 0858086
The XLogP value of 3.8 indicates that BRN 0858086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0858086. Following Lipinski's Rule of Five, BRN 0858086 has 1 hydrogen bond donor(s) and 6 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 BRN 0858086?
The CAS number of BRN 0858086 is 36934-38-0.
What is the molecular formula of BRN 0858086?
The molecular formula of BRN 0858086 is C22H16N4O4.
What is the molecular weight of BRN 0858086?
The molecular weight of BRN 0858086 is 400.12 g/mol.
Where can I buy BRN 0858086?
You can request a quote for BRN 0858086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0858086?
Yes, KEHONG BIO provides custom synthesis services for BRN 0858086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.