E461-0313
TL;DR: E461-0313 (CAS 872838-82-9) is a chemical compound with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: E461-0313, 3-[(2-chlorophenyl)methyl]-1-methyl-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 2-[(2-chlorophenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-[(2-chlorophenyl)methyl]-1-methyl-8-phenyl-1,3,5-trihydroimidazolidino[1,2-h ]purine-2,4-dione, 3-[(2-Chlorophenyl)methyl]-1-methyl-8-phenyl-1,3,5-trihydroimidazolidino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H18ClN5O2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.7501 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1149 |
| Heavy Atoms | 29 |
| Complexity | 1353.4971 |
Chemical Identifiers
| CAS Number | 872838-82-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3Cl)N4CCN(C4=N2)C5=CC=CC=C5 |
Product Overview
E461-0313 (CAS 872838-82-9), with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-4-methyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of E461-0313
Property Insights of E461-0313
The XLogP value of 2.7501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E461-0313. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for E461-0313. Following Lipinski's Rule of Five, E461-0313 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 E461-0313?
The CAS number of E461-0313 is 872838-82-9.
What is the molecular formula of E461-0313?
The molecular formula of E461-0313 is C21H18ClN5O2.
What is the molecular weight of E461-0313?
The molecular weight of E461-0313 is 407.11 g/mol.
Where can I buy E461-0313?
You can request a quote for E461-0313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E461-0313?
Yes, KEHONG BIO provides custom synthesis services for E461-0313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.