Bionet1_003358
TL;DR: Bionet1_003358 (CAS 478049-57-9) is a chemical compound with molecular formula C14H9F2NO4S2 and molecular weight 356.99 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] 2,6-difluorobenzoate
Also Known As: Bionet1_003358, [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,6-difluorobenzoate, 4-{[(2,6-difluorobenzoyl)oxy]imino}-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione
| Molecular Formula | C14H9F2NO4S2 |
|---|---|
| Molecular Weight | 356.99 g/mol |
| LogP | 2.7648 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.9941 |
| Heavy Atoms | 23 |
| Complexity | 898.3585 |
Chemical Identifiers
| CAS Number | 478049-57-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C1=NOC(=O)C3=C(C=CC=C3F)F)C=CS2 |
Product Overview
Bionet1_003358 (CAS 478049-57-9), with molecular formula C14H9F2NO4S2 and molecular weight 356.99 g/mol. IUPAC: [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,6-difluorobenzoate.
Chemical Property Profile of Bionet1_003358
Property Insights of Bionet1_003358
The XLogP value of 2.7648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_003358. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003358. Following Lipinski's Rule of Five, Bionet1_003358 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_003358?
The CAS number of Bionet1_003358 is 478049-57-9.
What is the molecular formula of Bionet1_003358?
The molecular formula of Bionet1_003358 is C14H9F2NO4S2.
What is the molecular weight of Bionet1_003358?
The molecular weight of Bionet1_003358 is 356.99 g/mol.
Where can I buy Bionet1_003358?
You can request a quote for Bionet1_003358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003358?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.