A2777/0117545
TL;DR: A2777/0117545 (CAS 369404-23-9) is a chemical compound with molecular formula C17H17FN6O3 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: A2777/0117545, 3-(4-Fluorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 3-(4-Fluoro-phenyl)-1-(2-hydroxy-ethyl)-6,8-dimethyl-1,4-dihydro-8H-1,2,4a,6,8,9-hexaaza-fluorene-5,7-dione, 3-(4-Fluorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione #, 3-(4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-7,9-DIMETHYL-1H,4H,6H,7H,8H,9H-[1,2,4]TRIAZINO[4,3-G]PURINE-6,8-DIONE
| Molecular Formula | C17H17FN6O3 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1346 |
| Heavy Atoms | 27 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 369404-23-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC=C(C=C4)F |
| InChIKey | IXNOYAJPVIIQGB-UHFFFAOYSA-N |
Product Overview
A2777/0117545 (CAS 369404-23-9), with molecular formula C17H17FN6O3 and molecular weight 372.13 g/mol. IUPAC: 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of A2777/0117545
Property Insights of A2777/0117545
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2777/0117545. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2777/0117545. Following Lipinski's Rule of Five, A2777/0117545 has 1 hydrogen bond donor(s) and 7 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 A2777/0117545?
The CAS number of A2777/0117545 is 369404-23-9.
What is the molecular formula of A2777/0117545?
The molecular formula of A2777/0117545 is C17H17FN6O3.
What is the molecular weight of A2777/0117545?
The molecular weight of A2777/0117545 is 372.13 g/mol.
Where can I buy A2777/0117545?
You can request a quote for A2777/0117545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2777/0117545?
Yes, KEHONG BIO provides custom synthesis services for A2777/0117545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.