Bionet1_000142
TL;DR: Bionet1_000142 (CAS 339028-94-3) is a chemical compound with molecular formula C19H15F3O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one
Also Known As: Bionet1_000142, DivK1c_002158, 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 3-(trifluoromethyl)benzaldehyde acetal, CDS1_001118, 6'-[3-(trifluoromethyl)phenyl]-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one
| Molecular Formula | C19H15F3O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 4.7258 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.0694 |
| Heavy Atoms | 26 |
| Complexity | 841.91815 |
Chemical Identifiers
| CAS Number | 339028-94-3 |
|---|---|
| SMILES | C1C2(COC(O1)C3=CC(=CC=C3)C(F)(F)F)CSC4=CC=CC=C4C2=O |
Product Overview
Bionet1_000142 (CAS 339028-94-3), with molecular formula C19H15F3O3S and molecular weight 380.07 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one.
Chemical Property Profile of Bionet1_000142
Property Insights of Bionet1_000142
The XLogP value of 4.7258 indicates that Bionet1_000142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Bionet1_000142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000142 has 0 hydrogen bond donor(s) and 4 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_000142?
The CAS number of Bionet1_000142 is 339028-94-3.
What is the molecular formula of Bionet1_000142?
The molecular formula of Bionet1_000142 is C19H15F3O3S.
What is the molecular weight of Bionet1_000142?
The molecular weight of Bionet1_000142 is 380.07 g/mol.
Where can I buy Bionet1_000142?
You can request a quote for Bionet1_000142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000142?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.