A2839/0119821
TL;DR: A2839/0119821 (CAS 442668-96-4) is a chemical compound with molecular formula C23H20ClN5O2 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-2,4-dimethyl-6-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: A2839/0119821, 7-(4-chlorophenyl)-1,3-dimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(4-chlorophenyl)-2,4-dimethyl-6-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione, 7-(4-chlorophenyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione, 7-(4-CHLOROPHENYL)-1,3-DIMETHYL-8-(2-PHENYLETHYL)-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C23H20ClN5O2 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 3.2495 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.13055 |
| Heavy Atoms | 31 |
| Complexity | 1539.4854 |
Chemical Identifiers
| CAS Number | 442668-96-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
A2839/0119821 (CAS 442668-96-4), with molecular formula C23H20ClN5O2 and molecular weight 433.13 g/mol. IUPAC: 7-(4-chlorophenyl)-2,4-dimethyl-6-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2839/0119821
Property Insights of A2839/0119821
The XLogP value of 3.2495 indicates that A2839/0119821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A2839/0119821. Following Lipinski's Rule of Five, A2839/0119821 has 0 hydrogen bond donor(s) and 3 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 A2839/0119821?
The CAS number of A2839/0119821 is 442668-96-4.
What is the molecular formula of A2839/0119821?
The molecular formula of A2839/0119821 is C23H20ClN5O2.
What is the molecular weight of A2839/0119821?
The molecular weight of A2839/0119821 is 433.13 g/mol.
Where can I buy A2839/0119821?
You can request a quote for A2839/0119821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2839/0119821?
Yes, KEHONG BIO provides custom synthesis services for A2839/0119821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.