7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 373373-53-6) is a chemical compound with molecular formula C24H25N7O4 and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione
Also Known As: 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione, 7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-8-[(pyridin-3-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C24H25N7O4 |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 1.6426 |
| Topological Polar Surface Area | 117.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.1968 |
| Heavy Atoms | 35 |
| Complexity | 1535.5017 |
Chemical Identifiers
| CAS Number | 373373-53-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4CC(=NO4)C5=CC=CC=C5OC |
Product Overview
7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 373373-53-6), with molecular formula C24H25N7O4 and molecular weight 475.20 g/mol. IUPAC: 7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.6426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 117.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 8 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 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione is 373373-53-6.
What is the molecular formula of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione is C24H25N7O4.
What is the molecular weight of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione is 475.20 g/mol.
Where can I buy 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.