BRN 3639704
TL;DR: BRN 3639704 (CAS 127786-23-6) is a chemical compound with molecular formula C30H23N7O3 and molecular weight 529.1862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[(2E)-4-oxo-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-1H-quinazolin-3-yl]benzenecarboximidamide
Also Known As: Benzoic acid, 4-((((2-(2-(2-hydroxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)imino)phenylmethyl)azo)-, hydrazide
Technical Specifications
| Molecular Formula | C30H23N7O3 |
| Molecular Weight | 529.1862 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.1862 Da |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
| SMILES | C1=CC=C(C=C1)/C(=N/N2/C(=C/C=C/3\C=CC=CC3=O)/NC4=CC=CC=C4C2=O)/N=NC5=CC=C(C=C5)C(=O)NN |
| InChIKey | PXVNZAWJUYQTJY-WAAAMYSHSA-N |
Chemical Property Profile of BRN 3639704
Property Insights of BRN 3639704
The XLogP value of 5.2 indicates that BRN 3639704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting BRN 3639704 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 3639704 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BRN 3639704?
The CAS number of BRN 3639704 is 127786-23-6.
What is the molecular formula of BRN 3639704?
The molecular formula of BRN 3639704 is C30H23N7O3.
What is the molecular weight of BRN 3639704?
The molecular weight of BRN 3639704 is 529.1862 g/mol.
Where can I buy BRN 3639704?
You can request a quote for BRN 3639704 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 3639704?
Yes, CoreyChem provides custom synthesis services for BRN 3639704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.