A2814/0118976
TL;DR: A2814/0118976 (CAS 442664-99-5) is a chemical compound with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2814/0118976, 6-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1,3,5-trihydro-4-imidazol ino[1,2-h]purine-2,4-dione, 8-(4-HYDROXYPHENYL)-7-(4-METHOXYPHENYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C22H19N5O4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.0568 |
| Topological Polar Surface Area | 95.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.1437 |
| Heavy Atoms | 31 |
| Complexity | 1568.0511 |
Chemical Identifiers
| CAS Number | 442664-99-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)OC |
Product Overview
A2814/0118976 (CAS 442664-99-5), with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol. IUPAC: 6-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2814/0118976
Property Insights of A2814/0118976
The XLogP value of 2.0568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2814/0118976. The TPSA of 95.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A2814/0118976. Following Lipinski's Rule of Five, A2814/0118976 has 1 hydrogen bond donor(s) and 5 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 A2814/0118976?
The CAS number of A2814/0118976 is 442664-99-5.
What is the molecular formula of A2814/0118976?
The molecular formula of A2814/0118976 is C22H19N5O4.
What is the molecular weight of A2814/0118976?
The molecular weight of A2814/0118976 is 417.14 g/mol.
Where can I buy A2814/0118976?
You can request a quote for A2814/0118976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2814/0118976?
Yes, KEHONG BIO provides custom synthesis services for A2814/0118976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.