F0656-0398
TL;DR: F0656-0398 (CAS 863018-49-9) is a chemical compound with molecular formula C18H13FN6O3 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: F0656-0398, 3-(2-fluorobenzyl)-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one, 3-[(o-fluorophenyl)methyl]-6-[(p-nitrophenyl)methyl]-1,2,3,4,6-pentaaza-3,6-dihydro-7H-inden-7-one
| Molecular Formula | C18H13FN6O3 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 2.1319 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1033 |
| Heavy Atoms | 28 |
| Complexity | 1232.2887 |
Chemical Identifiers
| CAS Number | 863018-49-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])N=N2)F |
Product Overview
F0656-0398 (CAS 863018-49-9), with molecular formula C18H13FN6O3 and molecular weight 380.10 g/mol. IUPAC: 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of F0656-0398
Property Insights of F0656-0398
The XLogP value of 2.1319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0656-0398. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F0656-0398. Following Lipinski's Rule of Five, F0656-0398 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 F0656-0398?
The CAS number of F0656-0398 is 863018-49-9.
What is the molecular formula of F0656-0398?
The molecular formula of F0656-0398 is C18H13FN6O3.
What is the molecular weight of F0656-0398?
The molecular weight of F0656-0398 is 380.10 g/mol.
Where can I buy F0656-0398?
You can request a quote for F0656-0398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0656-0398?
Yes, KEHONG BIO provides custom synthesis services for F0656-0398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.