Bionet1_000096
TL;DR: Bionet1_000096 (CAS 303995-29-1) is a chemical compound with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]carbamothioate
Also Known As: Bionet1_000096, DivK1c_002112, CDS1_001072, 12B-035, S-ethyl N-[5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridin-3-yl]carbamothioate
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 4.645 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 1030.7148 |
Chemical Identifiers
| CAS Number | 303995-29-1 |
|---|---|
| SMILES | CCSC(=O)NC1=C(N=C2C(=C1)C(=O)C3=CC=CC=C3O2)C(F)(F)F |
Product Overview
Bionet1_000096 (CAS 303995-29-1), with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol. IUPAC: S-ethyl N-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]carbamothioate.
Chemical Property Profile of Bionet1_000096
Property Insights of Bionet1_000096
The XLogP value of 4.645 indicates that Bionet1_000096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000096. Following Lipinski's Rule of Five, Bionet1_000096 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_000096?
The CAS number of Bionet1_000096 is 303995-29-1.
What is the molecular formula of Bionet1_000096?
The molecular formula of Bionet1_000096 is C16H11F3N2O3S.
What is the molecular weight of Bionet1_000096?
The molecular weight of Bionet1_000096 is 368.04 g/mol.
Where can I buy Bionet1_000096?
You can request a quote for Bionet1_000096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000096?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.