![2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide structure](/static/products/5128/512809-08-4.webp)
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
TL;DR: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 512809-08-4) is a chemical compound with molecular formula C16H14F4N4OS and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide, 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide
| Molecular Formula | C16H14F4N4OS |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 4.20898 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08246 |
| Heavy Atoms | 26 |
| Complexity | 868.4621 |
Chemical Identifiers
| CAS Number | 512809-08-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=CC(=N3)C(F)F)C(F)F)C#N |
Product Overview
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 512809-08-4), with molecular formula C16H14F4N4OS and molecular weight 386.08 g/mol. IUPAC: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Property Insights of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
The XLogP value of 4.20898 indicates that 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide has 1 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 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The CAS number of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 512809-08-4.
What is the molecular formula of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular formula of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is C16H14F4N4OS.
What is the molecular weight of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular weight of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 386.08 g/mol.
Where can I buy 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
You can request a quote for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.