A2839/0119824
TL;DR: A2839/0119824 (CAS 442668-99-7) is a chemical compound with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2839/0119824, 7-(4-chlorophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 7-(4-chlorophenyl)-8-(3-hydroxypropyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(4-CHLOROPHENYL)-8-(3-HYDROXYPROPYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C18H18ClN5O3 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 1.3892 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1098 |
| Heavy Atoms | 27 |
| Complexity | 1277.2908 |
Chemical Identifiers
| CAS Number | 442668-99-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCO)C4=CC=C(C=C4)Cl |
Product Overview
A2839/0119824 (CAS 442668-99-7), with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol. IUPAC: 7-(4-chlorophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2839/0119824
Property Insights of A2839/0119824
The XLogP value of 1.3892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2839/0119824. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A2839/0119824. Following Lipinski's Rule of Five, A2839/0119824 has 1 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 A2839/0119824?
The CAS number of A2839/0119824 is 442668-99-7.
What is the molecular formula of A2839/0119824?
The molecular formula of A2839/0119824 is C18H18ClN5O3.
What is the molecular weight of A2839/0119824?
The molecular weight of A2839/0119824 is 387.11 g/mol.
Where can I buy A2839/0119824?
You can request a quote for A2839/0119824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2839/0119824?
Yes, KEHONG BIO provides custom synthesis services for A2839/0119824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.