7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 135574-30-0) is a chemical compound with molecular formula C10H13N5O2 and molecular weight 235.10692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: 7-ALLYL-8-AMINO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, BAS 02080951, CHEMBRDG-BB 9070946, 7-Allyl-8-amino-1,3-dimethylxanthine, 8-amino-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C10H13N5O2 |
| Molecular Weight | 235.10692 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.10692 Da |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CC=C |
| InChIKey | QIKXOTWWYHNILL-UHFFFAOYSA-N |
Chemical Property Profile of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 135574-30-0.
What is the molecular formula of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C10H13N5O2.
What is the molecular weight of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 235.10692 g/mol.
Where can I buy 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-Allyl-8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.