6F-959
TL;DR: 6F-959 (CAS 338791-55-2) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate
Also Known As: 6F-959, methyl 4-hydroxy-3-oxo-4-phenyl-3a,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole-2(3H)-carboxylate, methyl 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate, methyl 4-hydroxy-3-oxo-4-phenyl-2H,3H,3aH,4H,5H,6H-pyrrolo[2,3-c]pyrazole-2-carboxylate, Methyl 8-hydroxy-2-oxo-8-phenyl-3,4,6-triazabicyclo[3.3.0]oct-5-ene-3-carboxylate
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 0.0157 |
| Topological Polar Surface Area | 91.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 600.8937 |
Chemical Identifiers
| CAS Number | 338791-55-2 |
|---|---|
| SMILES | COC(=O)N1C(=O)C2C(=NCC2(C3=CC=CC=C3)O)N1 |
Product Overview
6F-959 (CAS 338791-55-2), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: methyl 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate.
Chemical Property Profile of 6F-959
Property Insights of 6F-959
The XLogP value of 0.0157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6F-959. The TPSA of 91.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 6F-959. Following Lipinski's Rule of Five, 6F-959 has 2 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 6F-959?
The CAS number of 6F-959 is 338791-55-2.
What is the molecular formula of 6F-959?
The molecular formula of 6F-959 is C13H13N3O4.
What is the molecular weight of 6F-959?
The molecular weight of 6F-959 is 275.09 g/mol.
Where can I buy 6F-959?
You can request a quote for 6F-959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6F-959?
Yes, KEHONG BIO provides custom synthesis services for 6F-959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.