![N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide structure](/static/products/6424/642422-69-3.webp)
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide
TL;DR: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide (CAS 642422-69-3) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide
Also Known As: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide, N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)-3,5-diethoxybenzamide, N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3,5-diethoxy-benzamide, N-{[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonothioyl}-3,5-diethoxybenzamide
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.66878 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 969.99445 |
Chemical Identifiers
| CAS Number | 642422-69-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N)OCC |
Product Overview
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide (CAS 642422-69-3), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide.
Chemical Property Profile of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide
Property Insights of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide
The XLogP value of 4.66878 indicates that N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide has 2 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 N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide?
The CAS number of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide is 642422-69-3.
What is the molecular formula of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide?
The molecular formula of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide is C22H25N3O3S2.
What is the molecular weight of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide?
The molecular weight of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide is 443.13 g/mol.
Where can I buy N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide?
You can request a quote for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide 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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.