E461-0302
TL;DR: E461-0302 (CAS 872838-72-7) is a chemical compound with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: E461-0302, 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 1-methyl-8-phenyl-3-[(2E)-3-phenylprop-2-en-1-yl]-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 3-((2E)-3-Phenylprop-2-enyl)-1-methyl-8-phenyl-1,3,5-trihydroimidazolidino[1,2-h]purine-2,4-dione, 1-Methyl-8-phenyl-3-(3-phenylallyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
| Molecular Formula | C23H21N5O2 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.7618 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.16953 |
| Heavy Atoms | 30 |
| Complexity | 1364.2335 |
Chemical Identifiers
| CAS Number | 872838-72-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCN(C4=N2)C5=CC=CC=C5 |
Product Overview
E461-0302 (CAS 872838-72-7), with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol. IUPAC: 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of E461-0302
Property Insights of E461-0302
The XLogP value of 2.7618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E461-0302. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for E461-0302. Following Lipinski's Rule of Five, E461-0302 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 E461-0302?
The CAS number of E461-0302 is 872838-72-7.
What is the molecular formula of E461-0302?
The molecular formula of E461-0302 is C23H21N5O2.
What is the molecular weight of E461-0302?
The molecular weight of E461-0302 is 399.17 g/mol.
Where can I buy E461-0302?
You can request a quote for E461-0302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E461-0302?
Yes, KEHONG BIO provides custom synthesis services for E461-0302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.