A2787/0117803
TL;DR: A2787/0117803 (CAS 442658-29-9) is a chemical compound with molecular formula C28H33N5O3 and molecular weight 487.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(1-adamantyl)ethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2787/0117803, 6-[2-(1-adamantyl)ethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 7-(4-methoxyphenyl)-1,3-dimethyl-8-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(2-((3r,5r,7r)-adamantan-1-yl)ethyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(2-adamantanylethyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1,3,5-trihydro-4-imida zolino[1,2-h]purine-2,4-dione
| Molecular Formula | C28H33N5O3 |
|---|---|
| Molecular Weight | 487.26 g/mol |
| LogP | 3.9685 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.25833 |
| Heavy Atoms | 36 |
| Complexity | 1582.3358 |
Chemical Identifiers
| CAS Number | 442658-29-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)OC |
Product Overview
A2787/0117803 (CAS 442658-29-9), with molecular formula C28H33N5O3 and molecular weight 487.26 g/mol. IUPAC: 6-[2-(1-adamantyl)ethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2787/0117803
Property Insights of A2787/0117803
The XLogP value of 3.9685 indicates that A2787/0117803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A2787/0117803. Following Lipinski's Rule of Five, A2787/0117803 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 A2787/0117803?
The CAS number of A2787/0117803 is 442658-29-9.
What is the molecular formula of A2787/0117803?
The molecular formula of A2787/0117803 is C28H33N5O3.
What is the molecular weight of A2787/0117803?
The molecular weight of A2787/0117803 is 487.26 g/mol.
Where can I buy A2787/0117803?
You can request a quote for A2787/0117803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2787/0117803?
Yes, KEHONG BIO provides custom synthesis services for A2787/0117803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.