Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate
TL;DR: Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate (CAS 5318-82-1) is a chemical compound with molecular formula C27H26N6O4 and molecular weight 498.20 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;formic acid
Also Known As: HR 2195, Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate, Formic acid,4''-di-2-imidazolin-2-ylisophthalanide (2:1), 1, N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, diformate, 1,3-Benzendicarboxamide, N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, diformate
| Molecular Formula | C27H26N6O4 |
|---|---|
| Molecular Weight | 498.20 g/mol |
| LogP | 2.5916 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.20154 |
| Heavy Atoms | 37 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 5318-82-1 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5.C(=O)O |
| InChIKey | HBAYTYQNIYIWTJ-UHFFFAOYSA-N |
Product Overview
Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate (CAS 5318-82-1), with molecular formula C27H26N6O4 and molecular weight 498.20 g/mol. IUPAC: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;formic acid.
Chemical Property Profile of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate
Property Insights of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate
The XLogP value of 2.5916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate. The TPSA of 144.0 Ų indicates high polarity, suggesting Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate has 5 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 Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate?
The CAS number of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate is 5318-82-1.
What is the molecular formula of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate?
The molecular formula of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate is C27H26N6O4.
What is the molecular weight of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate?
The molecular weight of Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate is 498.20 g/mol.
Where can I buy Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate?
You can request a quote for Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate 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-, diformate?
Yes, KEHONG BIO provides custom synthesis services for Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.