RefChem:1057967
TL;DR: RefChem:1057967 (CAS 109901-83-9) is a chemical compound with molecular formula C28H28N6OS and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-N-[(E)-benzylideneamino]-2-[2-[4-(dimethylamino)anilino]ethyl]-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-(phenylamino)ethyl)-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)methylene)hydrazide, RefChem:1057967
| Molecular Formula | C28H28N6OS |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 4.745 |
| Topological Polar Surface Area | 72.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.20453 |
| Heavy Atoms | 36 |
| Complexity | 1284.6348 |
Chemical Identifiers
| CAS Number | 109901-83-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NCCC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C(=S)N/N=C/C4=CC=CC=C4 |
Product Overview
RefChem:1057967 (CAS 109901-83-9), with molecular formula C28H28N6OS and molecular weight 496.20 g/mol. IUPAC: (4E)-4-benzylidene-N-[(E)-benzylideneamino]-2-[2-[4-(dimethylamino)anilino]ethyl]-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of RefChem:1057967
Property Insights of RefChem:1057967
The XLogP value of 4.745 indicates that RefChem:1057967 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057967. Following Lipinski's Rule of Five, RefChem:1057967 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057967?
The CAS number of RefChem:1057967 is 109901-83-9.
What is the molecular formula of RefChem:1057967?
The molecular formula of RefChem:1057967 is C28H28N6OS.
What is the molecular weight of RefChem:1057967?
The molecular weight of RefChem:1057967 is 496.20 g/mol.
Where can I buy RefChem:1057967?
You can request a quote for RefChem:1057967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.