8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 372975-40-1) is a chemical compound with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-hydroxyethyl(methyl)amino]-7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[2-hydroxyethyl(methyl)amino]-7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H26N6O5 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 0.064 |
| Topological Polar Surface Area | 116.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.19647 |
| Heavy Atoms | 32 |
| Complexity | 1304.4781 |
Chemical Identifiers
| CAS Number | 372975-40-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CCO)CC3CC(=NO3)C4=CC=CC=C4OC |
Product Overview
8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 372975-40-1), with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol. IUPAC: 8-[2-hydroxyethyl(methyl)amino]-7-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 116.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-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 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 372975-40-1.
What is the molecular formula of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H26N6O5.
What is the molecular weight of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 442.20 g/mol.
Where can I buy 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-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 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-hydroxyethyl)(methyl)amino)-7-((3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.