RefChem:1057966
TL;DR: RefChem:1057966 (CAS 109901-82-8) is a chemical compound with molecular formula C28H27N5OS and molecular weight 481.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-2-[2-(2-methylanilino)ethyl]-N-[(E)-(2-methylphenyl)methylideneamino]-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-4-(phenylmethylene)-, (phenylmethylene)hydrazide, RefChem:1057966
| Molecular Formula | C28H27N5OS |
|---|---|
| Molecular Weight | 481.19 g/mol |
| LogP | 5.29584 |
| Topological Polar Surface Area | 69.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.19363 |
| Heavy Atoms | 35 |
| Complexity | 1313.6876 |
Chemical Identifiers
| CAS Number | 109901-82-8 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=N/NC(=S)N2C(=N/C(=C/C3=CC=CC=C3)/C2=O)CCNC4=CC=CC=C4C |
Product Overview
RefChem:1057966 (CAS 109901-82-8), with molecular formula C28H27N5OS and molecular weight 481.19 g/mol. IUPAC: (4E)-4-benzylidene-2-[2-(2-methylanilino)ethyl]-N-[(E)-(2-methylphenyl)methylideneamino]-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of RefChem:1057966
Property Insights of RefChem:1057966
The XLogP value of 5.29584 indicates that RefChem:1057966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057966. Following Lipinski's Rule of Five, RefChem:1057966 has 2 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 RefChem:1057966?
The CAS number of RefChem:1057966 is 109901-82-8.
What is the molecular formula of RefChem:1057966?
The molecular formula of RefChem:1057966 is C28H27N5OS.
What is the molecular weight of RefChem:1057966?
The molecular weight of RefChem:1057966 is 481.19 g/mol.
Where can I buy RefChem:1057966?
You can request a quote for RefChem:1057966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.