BRN 4588625
TL;DR: BRN 4588625 (CAS 83408-62-2) is a chemical compound with molecular formula C27H19ClN4O and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-amino-4-chlorophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one
Also Known As: 3-(3-Amino-4-chlorophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(3-amino-4-chlorophenyl)-2-(4-((phenylmethylene)amino)phenyl)-, 3-(3-amino-4-chlorophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one, BRN 4588625
| Molecular Formula | C27H19ClN4O |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.12473 |
| Heavy Atoms | 33 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 83408-62-2 |
|---|---|
| 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 |
| InChIKey | LKFDXSLQQJSNNV-UHFFFAOYSA-N |
Product Overview
BRN 4588625 (CAS 83408-62-2), with molecular formula C27H19ClN4O and molecular weight 450.12 g/mol. IUPAC: 3-(3-amino-4-chlorophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one.
Chemical Property Profile of BRN 4588625
Property Insights of BRN 4588625
The XLogP value of 5.3 indicates that BRN 4588625 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4588625. Following Lipinski's Rule of Five, BRN 4588625 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 4588625?
The CAS number of BRN 4588625 is 83408-62-2.
What is the molecular formula of BRN 4588625?
The molecular formula of BRN 4588625 is C27H19ClN4O.
What is the molecular weight of BRN 4588625?
The molecular weight of BRN 4588625 is 450.12 g/mol.
Where can I buy BRN 4588625?
You can request a quote for BRN 4588625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4588625?
Yes, KEHONG BIO provides custom synthesis services for BRN 4588625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.