Bionet1_003354
TL;DR: Bionet1_003354 (CAS 478049-53-5) is a chemical compound with molecular formula C15H10F3NO4S2 and molecular weight 389.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-(trifluoromethyl)benzoate
Also Known As: Bionet1_003354, [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-(trifluoromethyl)benzoate, 4-({[3-(trifluoromethyl)benzoyl]oxy}imino)-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione
| Molecular Formula | C15H10F3NO4S2 |
|---|---|
| Molecular Weight | 389.00 g/mol |
| LogP | 3.5054 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.00034 |
| Heavy Atoms | 25 |
| Complexity | 961.15125 |
Chemical Identifiers
| CAS Number | 478049-53-5 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C1=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)C=CS2 |
Product Overview
Bionet1_003354 (CAS 478049-53-5), with molecular formula C15H10F3NO4S2 and molecular weight 389.00 g/mol. IUPAC: [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of Bionet1_003354
Property Insights of Bionet1_003354
The XLogP value of 3.5054 indicates that Bionet1_003354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003354. Following Lipinski's Rule of Five, Bionet1_003354 has 0 hydrogen bond donor(s) and 6 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_003354?
The CAS number of Bionet1_003354 is 478049-53-5.
What is the molecular formula of Bionet1_003354?
The molecular formula of Bionet1_003354 is C15H10F3NO4S2.
What is the molecular weight of Bionet1_003354?
The molecular weight of Bionet1_003354 is 389.00 g/mol.
Where can I buy Bionet1_003354?
You can request a quote for Bionet1_003354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003354?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.