Bionet1_001174
TL;DR: Bionet1_001174 (CAS 306977-64-0) is a chemical compound with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylbut-3-yn-2-yl)-3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxamide
Also Known As: Bionet1_001174, 12H-315S, N-(1,1-dimethyl-2-propynyl)-3-[4-nitro-3-(trifluoromethyl)phenoxy]-2-thiophenecarboxamide, N-(2-methylbut-3-yn-2-yl)-3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxamide, N-(1,1-dimethylprop-2-ynyl)-3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxamide
| Molecular Formula | C17H13F3N2O4S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 4.609 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0548 |
| Heavy Atoms | 27 |
| Complexity | 928.99023 |
Chemical Identifiers
| CAS Number | 306977-64-0 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)C1=C(C=CS1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
Bionet1_001174 (CAS 306977-64-0), with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol. IUPAC: N-(2-methylbut-3-yn-2-yl)-3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxamide.
Chemical Property Profile of Bionet1_001174
Property Insights of Bionet1_001174
The XLogP value of 4.609 indicates that Bionet1_001174 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001174. Following Lipinski's Rule of Five, Bionet1_001174 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 Bionet1_001174?
The CAS number of Bionet1_001174 is 306977-64-0.
What is the molecular formula of Bionet1_001174?
The molecular formula of Bionet1_001174 is C17H13F3N2O4S.
What is the molecular weight of Bionet1_001174?
The molecular weight of Bionet1_001174 is 398.05 g/mol.
Where can I buy Bionet1_001174?
You can request a quote for Bionet1_001174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001174?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.