![8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione structure](/static/products/847/847852-83-9.png)
8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione
TL;DR: 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione (CAS 847852-83-9) is a chemical compound with molecular formula C25H25N5O5 and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione
Also Known As: 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione, 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-2-isoxazolin-5-yl)methyl]xanthine, 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-((3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]purine-2,6-dione
| Molecular Formula | C25H25N5O5 |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.18558 |
| Heavy Atoms | 35 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 847852-83-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC(=C(C=C3)OC)OC)CC4CC(=NO4)C5=CC=CC=C5 |
| InChIKey | DBHNZKYKRJTFAT-UHFFFAOYSA-N |
Product Overview
8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione (CAS 847852-83-9), with molecular formula C25H25N5O5 and molecular weight 475.19 g/mol. IUPAC: 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione
Property Insights of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione has 0 hydrogen bond donor(s) and 7 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 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione?
The CAS number of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione is 847852-83-9.
What is the molecular formula of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione?
The molecular formula of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione is C25H25N5O5.
What is the molecular weight of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione?
The molecular weight of 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione is 475.19 g/mol.
Where can I buy 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione?
You can request a quote for 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dimethoxyphenyl)-1,3-dimethyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.