ChemDiv1_027885
TL;DR: ChemDiv1_027885 (CAS 31493-80-8) is a chemical compound with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv1_027885, 8-(4-methoxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-methoxyphenyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, A2425/0102751, 6-(4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C22H19N5O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 2.3512 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.1488 |
| Heavy Atoms | 30 |
| Complexity | 1519.6348 |
Chemical Identifiers
| CAS Number | 31493-80-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC)C5=CC=CC=C5 |
Product Overview
ChemDiv1_027885 (CAS 31493-80-8), with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol. IUPAC: 6-(4-methoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv1_027885
Property Insights of ChemDiv1_027885
The XLogP value of 2.3512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027885. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027885. Following Lipinski's Rule of Five, ChemDiv1_027885 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 ChemDiv1_027885?
The CAS number of ChemDiv1_027885 is 31493-80-8.
What is the molecular formula of ChemDiv1_027885?
The molecular formula of ChemDiv1_027885 is C22H19N5O3.
What is the molecular weight of ChemDiv1_027885?
The molecular weight of ChemDiv1_027885 is 401.15 g/mol.
Where can I buy ChemDiv1_027885?
You can request a quote for ChemDiv1_027885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027885?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.