BRN 6011177
TL;DR: BRN 6011177 (CAS 109901-89-5) is a chemical compound with molecular formula C25H20N6OS and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C25H20N6OS |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 5.4991 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.14194 |
| Heavy Atoms | 33 |
| Complexity | 1268.0238 |
Chemical Identifiers
| CAS Number | 109901-89-5 |
|---|---|
| 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 |
Product Overview
BRN 6011177 (CAS 109901-89-5), with molecular formula C25H20N6OS and molecular weight 452.14 g/mol. IUPAC: (4E)-N-[(E)-N-anilino-C-phenylcarbonimidoyl]imino-4-benzylidene-2-methyl-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of BRN 6011177
Property Insights of BRN 6011177
The XLogP value of 5.4991 indicates that BRN 6011177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.78 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
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 452.14 g/mol.
Where can I buy BRN 6011177?
You can request a quote for BRN 6011177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 6011177?
Yes, KEHONG BIO provides custom synthesis services for BRN 6011177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.