Bionet1_002026
TL;DR: Bionet1_002026 (CAS 477766-87-3) is a chemical compound with molecular formula C19H13FN2O3S2 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: Bionet1_002026, 4-{5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-azatricyclo[5.2.1.0(2),?]dec-8-ene-3,5-dione
| Molecular Formula | C19H13FN2O3S2 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 2.749 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.03516 |
| Heavy Atoms | 27 |
| Complexity | 941.6718 |
Chemical Identifiers
| CAS Number | 477766-87-3 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)N4C(=O)C(=CC5=CC=C(C=C5)F)SC4=S |
Product Overview
Bionet1_002026 (CAS 477766-87-3), with molecular formula C19H13FN2O3S2 and molecular weight 400.04 g/mol. IUPAC: 4-[5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of Bionet1_002026
Property Insights of Bionet1_002026
The XLogP value of 2.749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002026. With a topological polar surface area (TPSA) of 57.69 Ų, Bionet1_002026 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002026 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_002026?
The CAS number of Bionet1_002026 is 477766-87-3.
What is the molecular formula of Bionet1_002026?
The molecular formula of Bionet1_002026 is C19H13FN2O3S2.
What is the molecular weight of Bionet1_002026?
The molecular weight of Bionet1_002026 is 400.04 g/mol.
Where can I buy Bionet1_002026?
You can request a quote for Bionet1_002026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002026?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.