Bionet1_000601
TL;DR: Bionet1_000601 (CAS 477853-01-3) is a chemical compound with molecular formula C17H17F3N4O2S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea
Also Known As: Bionet1_000601, 11E-326S, N-ethyl-2-({6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinyl}carbonyl)-1-hydrazinecarbothioamide, N-[(ethylcarbamothioyl)amino]-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide, 1-ethyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea
| Molecular Formula | C17H17F3N4O2S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.0442 |
| Topological Polar Surface Area | 75.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.10242 |
| Heavy Atoms | 27 |
| Complexity | 896.2326 |
Chemical Identifiers
| CAS Number | 477853-01-3 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F |
Product Overview
Bionet1_000601 (CAS 477853-01-3), with molecular formula C17H17F3N4O2S and molecular weight 398.10 g/mol. IUPAC: 1-ethyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea.
Chemical Property Profile of Bionet1_000601
Property Insights of Bionet1_000601
The XLogP value of 2.0442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000601. The TPSA of 75.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000601. Following Lipinski's Rule of Five, Bionet1_000601 has 3 hydrogen bond donor(s) and 3 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_000601?
The CAS number of Bionet1_000601 is 477853-01-3.
What is the molecular formula of Bionet1_000601?
The molecular formula of Bionet1_000601 is C17H17F3N4O2S.
What is the molecular weight of Bionet1_000601?
The molecular weight of Bionet1_000601 is 398.10 g/mol.
Where can I buy Bionet1_000601?
You can request a quote for Bionet1_000601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000601?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.