8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 135574-31-1) is a chemical compound with molecular formula C10H15N5O2 and molecular weight 237.12257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-1,3-dimethyl-7-propylpurine-2,6-dione
Also Known As: 7-Propyl-8-aminotheophyline, BAS 03571978, IDI1_021146, 8-amino-1,3-dimethyl-7-propylpurine-2,6-dione, 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C10H15N5O2 |
| Molecular Weight | 237.12257 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 | 237.12257 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | CCCN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C |
| InChIKey | KYJQNGNWPOAWML-UHFFFAOYSA-N |
Chemical Property Profile of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-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 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 135574-31-1.
What is the molecular formula of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione is C10H15N5O2.
What is the molecular weight of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 237.12257 g/mol.
Where can I buy 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-amino-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.