A2814/0118981
TL;DR: A2814/0118981 (CAS 384374-63-4) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2814/0118981, 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 7-((3r,5r,7r)-adamantan-1-yl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(1-adamantyl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(ADAMANTAN-1-YL)-8-(2-HYDROXYETHYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 1.1465 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1238.3868 |
Chemical Identifiers
| CAS Number | 384374-63-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCO)C45CC6CC(C4)CC(C6)C5 |
Product Overview
A2814/0118981 (CAS 384374-63-4), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2814/0118981
Property Insights of A2814/0118981
The XLogP value of 1.1465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2814/0118981. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A2814/0118981. Following Lipinski's Rule of Five, A2814/0118981 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 A2814/0118981?
The CAS number of A2814/0118981 is 384374-63-4.
What is the molecular formula of A2814/0118981?
The molecular formula of A2814/0118981 is C21H27N5O3.
What is the molecular weight of A2814/0118981?
The molecular weight of A2814/0118981 is 397.21 g/mol.
Where can I buy A2814/0118981?
You can request a quote for A2814/0118981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2814/0118981?
Yes, KEHONG BIO provides custom synthesis services for A2814/0118981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.