N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
TL;DR: N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide (CAS 340135-59-3) is a chemical compound with molecular formula C8H8F6N4O and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-1,2,4-triazol-5-yl)-2,2-bis(trifluoromethyl)butanamide
Also Known As: N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide, N-(1H-1,2,4-triazol-5-yl)-2,2-bis(trifluoromethyl)butanamide
| Molecular Formula | C8H8F6N4O |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06024 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 340135-59-3 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC=NN1)(C(F)(F)F)C(F)(F)F |
| InChIKey | KGYQAFXLMSXYRW-UHFFFAOYSA-N |
Product Overview
N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide (CAS 340135-59-3), with molecular formula C8H8F6N4O and molecular weight 290.06 g/mol. IUPAC: N-(1H-1,2,4-triazol-5-yl)-2,2-bis(trifluoromethyl)butanamide.
Chemical Property Profile of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
Property Insights of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide. Following Lipinski's Rule of Five, N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide has 2 hydrogen bond donor(s) and 9 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-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The CAS number of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide is 340135-59-3.
What is the molecular formula of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The molecular formula of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide is C8H8F6N4O.
What is the molecular weight of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The molecular weight of N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide is 290.06 g/mol.
Where can I buy N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
You can request a quote for N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.