3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 797813-16-2) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, BAS 04456754, 3-methyl-7-(3-phenylpropyl)purine-2,6-dione, VU0218368-6, 3-Methyl-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H16N4O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12732 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 797813-16-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC3=CC=CC=C3 |
| InChIKey | DIBIBYKBUTWGCT-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 797813-16-2), with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol. IUPAC: 3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione has 1 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 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 797813-16-2.
What is the molecular formula of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C15H16N4O2.
What is the molecular weight of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 284.13 g/mol.
Where can I buy 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-phenylpropyl)-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 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.