7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 900897-90-7) is a chemical compound with molecular formula C17H15Cl2N5O3 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione, 7-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-{[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H15Cl2N5O3 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 1.9337 |
| Topological Polar Surface Area | 83.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.0552 |
| Heavy Atoms | 27 |
| Complexity | 1207.7249 |
Chemical Identifiers
| CAS Number | 900897-90-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3CC(=NO3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 900897-90-7), with molecular formula C17H15Cl2N5O3 and molecular weight 407.06 g/mol. IUPAC: 7-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 83.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 5 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-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 900897-90-7.
What is the molecular formula of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C17H15Cl2N5O3.
What is the molecular weight of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 407.06 g/mol.
Where can I buy 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-((3-(2,4-dichlorophenyl)-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 7-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-((3-(2,4-dichlorophenyl)-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.