Bionet1_000651
TL;DR: Bionet1_000651 (CAS 339025-65-9) is a chemical compound with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamoylsulfanyl]acetate
Also Known As: Bionet1_000651, 8E-563, methyl 2-{[(4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}anilino)carbonyl]sulfanyl}acetate, methyl 2-[[4-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]phenyl]carbamoylsulfanyl]acetate, methyl 2-{[(4-{[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]methyl}phenyl)carbamoyl]sulfanyl}acetate
| Molecular Formula | C17H15F3N2O4S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 3.3535 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.07047 |
| Heavy Atoms | 27 |
| Complexity | 878.9826 |
Chemical Identifiers
| CAS Number | 339025-65-9 |
|---|---|
| SMILES | COC(=O)CSC(=O)NC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F |
Product Overview
Bionet1_000651 (CAS 339025-65-9), with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol. IUPAC: methyl 2-[[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamoylsulfanyl]acetate.
Chemical Property Profile of Bionet1_000651
Property Insights of Bionet1_000651
The XLogP value of 3.3535 indicates that Bionet1_000651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000651. Following Lipinski's Rule of Five, Bionet1_000651 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_000651?
The CAS number of Bionet1_000651 is 339025-65-9.
What is the molecular formula of Bionet1_000651?
The molecular formula of Bionet1_000651 is C17H15F3N2O4S.
What is the molecular weight of Bionet1_000651?
The molecular weight of Bionet1_000651 is 400.07 g/mol.
Where can I buy Bionet1_000651?
You can request a quote for Bionet1_000651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000651?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.