BRN 3639019
TL;DR: BRN 3639019 (CAS 127786-18-9) is a chemical compound with molecular formula C30H23N7O2 and molecular weight 513.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-benzylideneamino]-4-[[(Z)-N-(2-methyl-4-oxoquinazolin-3-yl)-C-phenylcarbonimidoyl]diazenyl]benzamide
Also Known As: Benzoic acid, 4-((((2-methyl-4-oxo-3(4H)-quinazolinyl)imino)phenylmethyl)azo)-, (phenylmethylene)hydrazide, BRN 3639019
| Molecular Formula | C30H23N7O2 |
|---|---|
| Molecular Weight | 513.19 g/mol |
| LogP | 5.46262 |
| Topological Polar Surface Area | 113.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.19135 |
| Heavy Atoms | 39 |
| Complexity | 1759.2181 |
Chemical Identifiers
| CAS Number | 127786-18-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=C(C=C4)C(=O)N/N=C/C5=CC=CC=C5 |
Product Overview
BRN 3639019 (CAS 127786-18-9), with molecular formula C30H23N7O2 and molecular weight 513.19 g/mol. IUPAC: N-[(E)-benzylideneamino]-4-[[(Z)-N-(2-methyl-4-oxoquinazolin-3-yl)-C-phenylcarbonimidoyl]diazenyl]benzamide.
Chemical Property Profile of BRN 3639019
Property Insights of BRN 3639019
The XLogP value of 5.46262 indicates that BRN 3639019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 3639019. Following Lipinski's Rule of Five, BRN 3639019 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 3639019?
The CAS number of BRN 3639019 is 127786-18-9.
What is the molecular formula of BRN 3639019?
The molecular formula of BRN 3639019 is C30H23N7O2.
What is the molecular weight of BRN 3639019?
The molecular weight of BRN 3639019 is 513.19 g/mol.
Where can I buy BRN 3639019?
You can request a quote for BRN 3639019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 3639019?
Yes, KEHONG BIO provides custom synthesis services for BRN 3639019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.