![ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/4942/494217-75-3.webp)
ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 494217-75-3) is a chemical compound with molecular formula C19H23ClN4O3S2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H23ClN4O3S2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 4.01582 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.09 |
| Heavy Atoms | 29 |
| Complexity | 967.30096 |
Chemical Identifiers
| CAS Number | 494217-75-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=C(C(=NN3C)C)Cl |
Product Overview
ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 494217-75-3), with molecular formula C19H23ClN4O3S2 and molecular weight 454.09 g/mol. IUPAC: ethyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.01582 indicates that ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 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 ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 494217-75-3.
What is the molecular formula of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C19H23ClN4O3S2.
What is the molecular weight of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 454.09 g/mol.
Where can I buy ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.