Bionet1_001596
TL;DR: Bionet1_001596 (CAS 339113-46-1) is a chemical compound with molecular formula C16H14FNO6S and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Also Known As: Bionet1_001596, 9J-553S, dimethyl 5-(4-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, Dimethyl 5-(4-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, dimethyl 5-(4-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
| Molecular Formula | C16H14FNO6S |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 1.7533 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.05258 |
| Heavy Atoms | 25 |
| Complexity | 975.0441 |
Chemical Identifiers
| CAS Number | 339113-46-1 |
|---|---|
| SMILES | COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)F |
Product Overview
Bionet1_001596 (CAS 339113-46-1), with molecular formula C16H14FNO6S and molecular weight 367.05 g/mol. IUPAC: dimethyl 5-(4-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
Chemical Property Profile of Bionet1_001596
Property Insights of Bionet1_001596
The XLogP value of 1.7533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_001596. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001596. Following Lipinski's Rule of Five, Bionet1_001596 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_001596?
The CAS number of Bionet1_001596 is 339113-46-1.
What is the molecular formula of Bionet1_001596?
The molecular formula of Bionet1_001596 is C16H14FNO6S.
What is the molecular weight of Bionet1_001596?
The molecular weight of Bionet1_001596 is 367.05 g/mol.
Where can I buy Bionet1_001596?
You can request a quote for Bionet1_001596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001596?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.