E461-0314
TL;DR: E461-0314 (CAS 872838-83-0) is a chemical compound with molecular formula C23H23N5O2 and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: E461-0314, 3-[(2,5-dimethylphenyl)methyl]-1-methyl-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 2-[(2,5-dimethylphenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-[(2,5-dimethylphenyl)methyl]-1-methyl-8-phenyl-1,3,5-trihydroimidazolidino[1 ,2-h]purine-2,4-dione, 3-[(2,5-Dimethylphenyl)methyl]-1-methyl-8-phenyl-1,3,5-trihydroimidazolidino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H23N5O2 |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 2.71354 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.18518 |
| Heavy Atoms | 30 |
| Complexity | 1395.3689 |
Chemical Identifiers
| CAS Number | 872838-83-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3CCN4C5=CC=CC=C5)N(C2=O)C |
Product Overview
E461-0314 (CAS 872838-83-0), with molecular formula C23H23N5O2 and molecular weight 401.19 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of E461-0314
Property Insights of E461-0314
The XLogP value of 2.71354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E461-0314. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for E461-0314. Following Lipinski's Rule of Five, E461-0314 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 E461-0314?
The CAS number of E461-0314 is 872838-83-0.
What is the molecular formula of E461-0314?
The molecular formula of E461-0314 is C23H23N5O2.
What is the molecular weight of E461-0314?
The molecular weight of E461-0314 is 401.19 g/mol.
Where can I buy E461-0314?
You can request a quote for E461-0314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E461-0314?
Yes, KEHONG BIO provides custom synthesis services for E461-0314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.