C22H21FN6O4
TL;DR: C22H21FN6O4 (CAS 714236-11-0) is a chemical compound with molecular formula C22H21FN6O4 and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: (E)-8-(2-(4-fluorobenzylidene)hydrazinyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H21FN6O4 |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 1.4483 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.16083 |
| Heavy Atoms | 33 |
| Complexity | 1392.9213 |
Chemical Identifiers
| CAS Number | 714236-11-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)F)CC(COC4=CC=CC=C4)O |
Product Overview
C22H21FN6O4 (CAS 714236-11-0), with molecular formula C22H21FN6O4 and molecular weight 452.16 g/mol. IUPAC: 8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of C22H21FN6O4
Property Insights of C22H21FN6O4
The XLogP value of 1.4483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H21FN6O4. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H21FN6O4. Following Lipinski's Rule of Five, C22H21FN6O4 has 3 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 C22H21FN6O4?
The CAS number of C22H21FN6O4 is 714236-11-0.
What is the molecular formula of C22H21FN6O4?
The molecular formula of C22H21FN6O4 is C22H21FN6O4.
What is the molecular weight of C22H21FN6O4?
The molecular weight of C22H21FN6O4 is 452.16 g/mol.
Where can I buy C22H21FN6O4?
You can request a quote for C22H21FN6O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H21FN6O4?
Yes, KEHONG BIO provides custom synthesis services for C22H21FN6O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.