1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 27760-74-3) is a chemical compound with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-propylpurine-2,6-dione
Also Known As: 7-propyltheophylline, 7-Propyltheophyline, Theophylline, n-propyl derivative, 1,3-dimethyl-7-propylxanthine, 7-Propyl-1,3-dimethylxanthine
| Molecular Formula | C10H14N4O2 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | -0.1563 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11168 |
| Heavy Atoms | 16 |
| Complexity | 647.1084 |
Chemical Identifiers
| CAS Number | 27760-74-3 |
|---|---|
| SMILES | CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 27760-74-3), with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol. IUPAC: 1,3-dimethyl-7-propylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of -0.1563 indicates that 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 27760-74-3.
What is the molecular formula of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C10H14N4O2.
What is the molecular weight of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 222.11 g/mol.
Where can I buy 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-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-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.