C26H22N6OS
TL;DR: C26H22N6OS (CAS 109901-90-8) is a chemical compound with molecular formula C26H22N6OS and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-2-methyl-N-[(E)-N-(2-methylanilino)-C-phenylcarbonimidoyl]imino-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-, (((2-methylphenyl)azo)phenylmethylene)hydrazide, BRN 6013938
| Molecular Formula | C26H22N6OS |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 5.80752 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1576 |
| Heavy Atoms | 34 |
| Complexity | 1329.6664 |
Chemical Identifiers
| CAS Number | 109901-90-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N/N=C(\C2=CC=CC=C2)/N=NC(=S)N3C(=N/C(=C/C4=CC=CC=C4)/C3=O)C |
Product Overview
C26H22N6OS (CAS 109901-90-8), with molecular formula C26H22N6OS and molecular weight 466.16 g/mol. IUPAC: (4E)-4-benzylidene-2-methyl-N-[(E)-N-(2-methylanilino)-C-phenylcarbonimidoyl]imino-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of C26H22N6OS
Property Insights of C26H22N6OS
The XLogP value of 5.80752 indicates that C26H22N6OS 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 C26H22N6OS. Following Lipinski's Rule of Five, C26H22N6OS 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 C26H22N6OS?
The CAS number of C26H22N6OS is 109901-90-8.
What is the molecular formula of C26H22N6OS?
The molecular formula of C26H22N6OS is C26H22N6OS.
What is the molecular weight of C26H22N6OS?
The molecular weight of C26H22N6OS is 466.16 g/mol.
Where can I buy C26H22N6OS?
You can request a quote for C26H22N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H22N6OS?
Yes, KEHONG BIO provides custom synthesis services for C26H22N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.