N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
TL;DR: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005601-75-1) is a chemical compound with molecular formula C18H22F2N4O2S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
Also Known As: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide, N-[3-(AMINOCARBONYL)-6-(TERT-BUTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-1-(DIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C18H22F2N4O2S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.8419 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.14316 |
| Heavy Atoms | 27 |
| Complexity | 882.54407 |
Chemical Identifiers
| CAS Number | 1005601-75-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3)C(F)F |
Product Overview
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005601-75-1), with molecular formula C18H22F2N4O2S and molecular weight 396.14 g/mol. IUPAC: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide.
Chemical Property Profile of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
Property Insights of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.8419 indicates that N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 4 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 N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is 1005601-75-1.
What is the molecular formula of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is C18H22F2N4O2S.
What is the molecular weight of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is 396.14 g/mol.
Where can I buy N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.