![Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate structure](/static/products/7169/7169-27-9.webp)
Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate
TL;DR: Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate (CAS 7169-27-9) is a chemical compound with molecular formula C15H10ClF2N3O3S and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate, methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate, METHYL 3-CHLORO-6-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-1-BENZOTHIOPHENE-2-CARBOXYLATE, Methyl 3-chloro-6-[1-(difluoromethyl)-1H-pyrazole-3-carboxamido]-1-benzothiophene-2-carboxylate
| Molecular Formula | C15H10ClF2N3O3S |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 4.1852 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.00995 |
| Heavy Atoms | 25 |
| Complexity | 970.2415 |
Chemical Identifiers
| CAS Number | 7169-27-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)C(F)F)Cl |
Product Overview
Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate (CAS 7169-27-9), with molecular formula C15H10ClF2N3O3S and molecular weight 385.01 g/mol. IUPAC: methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate
Property Insights of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate
The XLogP value of 4.1852 indicates that Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-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 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate?
The CAS number of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate is 7169-27-9.
What is the molecular formula of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate is C15H10ClF2N3O3S.
What is the molecular weight of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate is 385.01 g/mol.
Where can I buy Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-6-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.