Bionet1_002110
TL;DR: Bionet1_002110 (CAS 478042-75-0) is a chemical compound with molecular formula C16H15F3N4O3 and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(dimethylamino)prop-2-enoyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: Bionet1_002110, 6-[3-(dimethylamino)acryloyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione, 6-[3-(dimethylamino)prop-2-enoyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 6-[3-(Dimethylamino)-1-oxo-2-propen-1-yl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C16H15F3N4O3 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 1.208 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.10962 |
| Heavy Atoms | 26 |
| Complexity | 970.2052 |
Chemical Identifiers
| CAS Number | 478042-75-0 |
|---|---|
| SMILES | CN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C=CN(C)C |
Product Overview
Bionet1_002110 (CAS 478042-75-0), with molecular formula C16H15F3N4O3 and molecular weight 368.11 g/mol. IUPAC: 6-[3-(dimethylamino)prop-2-enoyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of Bionet1_002110
Property Insights of Bionet1_002110
The XLogP value of 1.208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002110. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002110. Following Lipinski's Rule of Five, Bionet1_002110 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_002110?
The CAS number of Bionet1_002110 is 478042-75-0.
What is the molecular formula of Bionet1_002110?
The molecular formula of Bionet1_002110 is C16H15F3N4O3.
What is the molecular weight of Bionet1_002110?
The molecular weight of Bionet1_002110 is 368.11 g/mol.
Where can I buy Bionet1_002110?
You can request a quote for Bionet1_002110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002110?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.