F0754-0021
TL;DR: F0754-0021 (CAS 476668-40-3) is a chemical compound with molecular formula C22H21N7O4 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione
Also Known As: F0754-0021, (E)-1,3-dimethyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-[(E)-2-[(3-nitrophenyl)methylidene]hydrazin-1-yl]-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethyl-purine-2,6-dione, 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione
| Molecular Formula | C22H21N7O4 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 2.0306 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1655 |
| Heavy Atoms | 33 |
| Complexity | 1482.6445 |
Chemical Identifiers
| CAS Number | 476668-40-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4 |
Product Overview
F0754-0021 (CAS 476668-40-3), with molecular formula C22H21N7O4 and molecular weight 447.17 g/mol. IUPAC: 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of F0754-0021
Property Insights of F0754-0021
The XLogP value of 2.0306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0754-0021. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0754-0021. Following Lipinski's Rule of Five, F0754-0021 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 F0754-0021?
The CAS number of F0754-0021 is 476668-40-3.
What is the molecular formula of F0754-0021?
The molecular formula of F0754-0021 is C22H21N7O4.
What is the molecular weight of F0754-0021?
The molecular weight of F0754-0021 is 447.17 g/mol.
Where can I buy F0754-0021?
You can request a quote for F0754-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0754-0021?
Yes, KEHONG BIO provides custom synthesis services for F0754-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.