N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CAS 794540-95-7) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 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-methyl-6-oxopyridazine-3-carboxamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.84458 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 844.20294 |
Chemical Identifiers
| CAS Number | 794540-95-7 |
|---|---|
| SMILES | CN1C(=O)C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CAS 794540-95-7), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
The XLogP value of 1.84458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-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-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is 794540-95-7.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is C15H14N4O2S.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is 314.08 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-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-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.