![ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/5903/590350-99-5.webp)
ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 590350-99-5) is a chemical compound with molecular formula C29H30N4O2S2 and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[({[(1,3-diphenylpyrazol-4-yl)methyl]amino}thioxomethyl)amino]-4,5,6,7 ,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate, ethyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C29H30N4O2S2 |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 6.533 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.181 |
| Heavy Atoms | 37 |
| Complexity | 1379.9198 |
Chemical Identifiers
| CAS Number | 590350-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 590350-99-5), with molecular formula C29H30N4O2S2 and molecular weight 530.18 g/mol. IUPAC: ethyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 6.533 indicates that ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]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 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 590350-99-5.
What is the molecular formula of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C29H30N4O2S2.
What is the molecular weight of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 530.18 g/mol.
Where can I buy ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]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-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]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.