![3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide structure](/static/products/6897/689744-40-9.webp)
3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide
TL;DR: 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide (CAS 689744-40-9) is a chemical compound with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide
Also Known As: 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide, (3-chloro-4-ethoxyphenyl)-N-{[(3-cyano-4,5-dimethyl(2-thienyl))amino]thioxomet hyl}carboxamide
| Molecular Formula | C17H16ClN3O2S2 |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 4.41552 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.03726 |
| Heavy Atoms | 25 |
| Complexity | 871.5084 |
Chemical Identifiers
| CAS Number | 689744-40-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C#N)Cl |
Product Overview
3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide (CAS 689744-40-9), with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol. IUPAC: 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide
Property Insights of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide
The XLogP value of 4.41552 indicates that 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide. Following Lipinski's Rule of Five, 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide has 2 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 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide?
The CAS number of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide is 689744-40-9.
What is the molecular formula of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide?
The molecular formula of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide is C17H16ClN3O2S2.
What is the molecular weight of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide?
The molecular weight of 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide is 393.04 g/mol.
Where can I buy 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide?
You can request a quote for 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.