1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 902010-66-6) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-[4-(diethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-({3-[4-(diethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-[[3-(4-diethylaminophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethyl-purine-2,6-dione, 1-[[3-[4-(diethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 1.4731 |
| Topological Polar Surface Area | 86.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1214.498 |
Chemical Identifiers
| CAS Number | 902010-66-6 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=NOC(C2)CN3C(=O)C4=C(N=CN4C)N(C3=O)C |
Product Overview
1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 902010-66-6), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 1-[[3-[4-(diethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 86.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 6 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 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 902010-66-6.
What is the molecular formula of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H26N6O3.
What is the molecular weight of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 410.21 g/mol.
Where can I buy 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-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 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-(4-(diethylamino)phenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.