E461-0597
TL;DR: E461-0597 (CAS 872840-48-7) is a chemical compound with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: E461-0597, 8-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 6-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(4-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-1,3,5-trihydroimidazolid ino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H22FN5O2 |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 2.7982 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.17575 |
| Heavy Atoms | 31 |
| Complexity | 1397.9141 |
Chemical Identifiers
| CAS Number | 872840-48-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=C(C=C5)F |
Product Overview
E461-0597 (CAS 872840-48-7), with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol. IUPAC: 6-(4-ethylphenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of E461-0597
Property Insights of E461-0597
The XLogP value of 2.7982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E461-0597. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for E461-0597. Following Lipinski's Rule of Five, E461-0597 has 0 hydrogen bond donor(s) and 4 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 E461-0597?
The CAS number of E461-0597 is 872840-48-7.
What is the molecular formula of E461-0597?
The molecular formula of E461-0597 is C23H22FN5O2.
What is the molecular weight of E461-0597?
The molecular weight of E461-0597 is 419.18 g/mol.
Where can I buy E461-0597?
You can request a quote for E461-0597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E461-0597?
Yes, KEHONG BIO provides custom synthesis services for E461-0597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.