F0656-0831
TL;DR: F0656-0831 (CAS 863019-57-2) is a chemical compound with molecular formula C13H10FN5O3 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
Also Known As: F0656-0831, methyl 2-(3-(4-fluorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetate, methyl 2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate, methyl 2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
| Molecular Formula | C13H10FN5O3 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 0.2893 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.07678 |
| Heavy Atoms | 22 |
| Complexity | 900.17474 |
Chemical Identifiers
| CAS Number | 863019-57-2 |
|---|---|
| SMILES | COC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)F |
Product Overview
F0656-0831 (CAS 863019-57-2), with molecular formula C13H10FN5O3 and molecular weight 303.08 g/mol. IUPAC: methyl 2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate.
Chemical Property Profile of F0656-0831
Property Insights of F0656-0831
The XLogP value of 0.2893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0656-0831. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F0656-0831. Following Lipinski's Rule of Five, F0656-0831 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 F0656-0831?
The CAS number of F0656-0831 is 863019-57-2.
What is the molecular formula of F0656-0831?
The molecular formula of F0656-0831 is C13H10FN5O3.
What is the molecular weight of F0656-0831?
The molecular weight of F0656-0831 is 303.08 g/mol.
Where can I buy F0656-0831?
You can request a quote for F0656-0831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0656-0831?
Yes, KEHONG BIO provides custom synthesis services for F0656-0831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.