![N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide structure](/static/products/898/898620-48-9.png)
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide (CAS 898620-48-9) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-ethylphenyl)-4-oxopyridazine-3-carboxamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-ethylphenyl)-4-oxopyridazine-3-carboxamide
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.85918 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1169.0034 |
Chemical Identifiers
| CAS Number | 898620-48-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide (CAS 898620-48-9), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-ethylphenyl)-4-oxopyridazine-3-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
The XLogP value of 3.85918 indicates that N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide has 1 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 N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide is 898620-48-9.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide is C22H20N4O2S.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide is 404.13 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-(4-ethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.