BRN 6011177
TL;DR: BRN 6011177 (CAS 109901-89-5) is a chemical compound with molecular formula C25H20N6OS and molecular weight 452.14194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-N-[(E)-N-anilino-C-phenylcarbonimidoyl]imino-4-benzylidene-2-methyl-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-, (phenyl(phenylazo)methylene)hydrazide, BRN 6011177
Technical Specifications
| Molecular Formula | C25H20N6OS |
| Molecular Weight | 452.14194 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.14194 Da |
| Heavy Atoms | 33 |
| Complexity | 830.0 |
| SMILES | CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1C(=S)N=N/C(=N/NC3=CC=CC=C3)/C4=CC=CC=C4 |
| InChIKey | QZVZIIRUTOEUSG-SJYQRVISSA-N |
Chemical Property Profile of BRN 6011177
Property Insights of BRN 6011177
The XLogP value of 6.1 indicates that BRN 6011177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 6011177. Following Lipinski's Rule of Five, BRN 6011177 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BRN 6011177?
The CAS number of BRN 6011177 is 109901-89-5.
What is the molecular formula of BRN 6011177?
The molecular formula of BRN 6011177 is C25H20N6OS.
What is the molecular weight of BRN 6011177?
The molecular weight of BRN 6011177 is 452.14194 g/mol.
Where can I buy BRN 6011177?
You can request a quote for BRN 6011177 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 6011177?
Yes, CoreyChem provides custom synthesis services for BRN 6011177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.