![methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/1005/1005639-94-0.webp)
methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 1005639-94-0) is a chemical compound with molecular formula C14H13F2N3O3S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(1-(difluoromethyl)-1H-pyrazole-3-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C14H13F2N3O3S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 2.8673 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.06458 |
| Heavy Atoms | 23 |
| Complexity | 769.4057 |
Chemical Identifiers
| CAS Number | 1005639-94-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NN(C=C3)C(F)F |
Product Overview
methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 1005639-94-0), with molecular formula C14H13F2N3O3S and molecular weight 341.06 g/mol. IUPAC: methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.8673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 1005639-94-0.
What is the molecular formula of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C14H13F2N3O3S.
What is the molecular weight of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 341.06 g/mol.
Where can I buy methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[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 methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.