4',4''-Bis(imidazolin-2-yl)isophthalanilide
TL;DR: 4',4''-Bis(imidazolin-2-yl)isophthalanilide (CAS 5697-54-1) is a chemical compound with molecular formula C26H24N6O2 and molecular weight 452.20 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]benzene-1,3-dicarboxamide
Also Known As: Isotic, 4',4''-Bis(imidazolin-2-yl)isophthalanilide, Isophthalanilide, 4',4''-di-2-imidazolin-2-yl-, J1.327.183F, 1,3-Benzenedicarboxamide, N1,N3-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-
| Molecular Formula | C26H24N6O2 |
|---|---|
| Molecular Weight | 452.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.19608 |
| Heavy Atoms | 34 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 5697-54-1 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5 |
| InChIKey | WNLQABWBUXJQHU-UHFFFAOYSA-N |
Product Overview
4',4''-Bis(imidazolin-2-yl)isophthalanilide (CAS 5697-54-1), with molecular formula C26H24N6O2 and molecular weight 452.20 g/mol. IUPAC: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide.
Chemical Property Profile of 4',4''-Bis(imidazolin-2-yl)isophthalanilide
Property Insights of 4',4''-Bis(imidazolin-2-yl)isophthalanilide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',4''-Bis(imidazolin-2-yl)isophthalanilide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',4''-Bis(imidazolin-2-yl)isophthalanilide. Following Lipinski's Rule of Five, 4',4''-Bis(imidazolin-2-yl)isophthalanilide has 4 hydrogen bond donor(s) and 4 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 4',4''-Bis(imidazolin-2-yl)isophthalanilide?
The CAS number of 4',4''-Bis(imidazolin-2-yl)isophthalanilide is 5697-54-1.
What is the molecular formula of 4',4''-Bis(imidazolin-2-yl)isophthalanilide?
The molecular formula of 4',4''-Bis(imidazolin-2-yl)isophthalanilide is C26H24N6O2.
What is the molecular weight of 4',4''-Bis(imidazolin-2-yl)isophthalanilide?
The molecular weight of 4',4''-Bis(imidazolin-2-yl)isophthalanilide is 452.20 g/mol.
Where can I buy 4',4''-Bis(imidazolin-2-yl)isophthalanilide?
You can request a quote for 4',4''-Bis(imidazolin-2-yl)isophthalanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',4''-Bis(imidazolin-2-yl)isophthalanilide?
Yes, KEHONG BIO provides custom synthesis services for 4',4''-Bis(imidazolin-2-yl)isophthalanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.