Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-
TL;DR: Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- (CAS 4261-01-2) is a chemical compound with molecular formula C27H26N6O2S and molecular weight 498.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide
Also Known As: Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-, 1, N,N'-bis(4,5-dihydro-1H-imidazol-2-yl)phenyl)-5-(methylthio)-, 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide, n,n'-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-5-(methylsulfanyl)benzene-1,3-dicarboxamide, N~1~,N~3~-Bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(methylsulfanyl)benzene-1,3-dicarboxamide
| Molecular Formula | C27H26N6O2S |
|---|---|
| Molecular Weight | 498.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.1838 |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 4261-01-2 |
|---|---|
| SMILES | CSC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5 |
| InChIKey | UNIMOOMXPWXBQO-UHFFFAOYSA-N |
Product Overview
Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- (CAS 4261-01-2), with molecular formula C27H26N6O2S and molecular weight 498.18 g/mol. IUPAC: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide.
Chemical Property Profile of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-
Property Insights of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-. Following Lipinski's Rule of Five, Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- has 4 hydrogen bond donor(s) and 5 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 Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-?
The CAS number of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- is 4261-01-2.
What is the molecular formula of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-?
The molecular formula of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- is C27H26N6O2S.
What is the molecular weight of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-?
The molecular weight of Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- is 498.18 g/mol.
Where can I buy Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-?
You can request a quote for Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.