![dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate structure](/static/products/577/577695-35-3.png)
dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate (CAS 577695-35-3) is a chemical compound with molecular formula C23H18N4O4 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate, dimethyl 5-((4-cyano-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-1-yl)amino)isophthalate, dimethyl 5-{[(1E)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1(5H)-ylidene]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C23H18N4O4 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 3.9844 |
| Topological Polar Surface Area | 105.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1328 |
| Heavy Atoms | 31 |
| Complexity | 1364.2289 |
Chemical Identifiers
| CAS Number | 577695-35-3 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)C#N |
Product Overview
dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate (CAS 577695-35-3), with molecular formula C23H18N4O4 and molecular weight 414.13 g/mol. IUPAC: dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate
The XLogP value of 3.9844 indicates that dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.72 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate is 577695-35-3.
What is the molecular formula of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate is C23H18N4O4.
What is the molecular weight of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate is 414.13 g/mol.
Where can I buy dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.