Bionet1_003954
TL;DR: Bionet1_003954 (CAS 477890-37-2) is a chemical compound with molecular formula C14H11F6N5O2 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-nitrotriazol-4-yl]-N,N-dimethylethenamine
Also Known As: Bionet1_003954, DivK1c_002450, CDS1_001410, (E)-2-{1-[3,5-bis(trifluoromethyl)phenyl]-4-nitro-1H-1,2,3-triazol-5-yl}-N,N-dimethyl-1-ethenamine, 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-nitrotriazol-4-yl]-N,N-dimethylethenamine
| Molecular Formula | C14H11F6N5O2 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 3.7454 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0817 |
| Heavy Atoms | 27 |
| Complexity | 852.84863 |
Chemical Identifiers
| CAS Number | 477890-37-2 |
|---|---|
| SMILES | CN(C)C=CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Bionet1_003954 (CAS 477890-37-2), with molecular formula C14H11F6N5O2 and molecular weight 395.08 g/mol. IUPAC: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-nitrotriazol-4-yl]-N,N-dimethylethenamine.
Chemical Property Profile of Bionet1_003954
Property Insights of Bionet1_003954
The XLogP value of 3.7454 indicates that Bionet1_003954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003954. Following Lipinski's Rule of Five, Bionet1_003954 has 0 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_003954?
The CAS number of Bionet1_003954 is 477890-37-2.
What is the molecular formula of Bionet1_003954?
The molecular formula of Bionet1_003954 is C14H11F6N5O2.
What is the molecular weight of Bionet1_003954?
The molecular weight of Bionet1_003954 is 395.08 g/mol.
Where can I buy Bionet1_003954?
You can request a quote for Bionet1_003954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003954?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.