2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione
TL;DR: 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione (CAS 5429-48-1) is a chemical compound with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione
Also Known As: NIOSH/UO8445500, Theophylline, 8-(1-naphthylmethyl)-, 1,3-dimethyl-8-(naphthalen-1-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione, 1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione, 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione
| Molecular Formula | C18H16N4O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.12732 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 5429-48-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC4=CC=CC=C43 |
| InChIKey | BIVVLUDWJXHPPJ-UHFFFAOYSA-N |
Product Overview
2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione (CAS 5429-48-1), with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol. IUPAC: 1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione
Property Insights of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-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 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione?
The CAS number of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione is 5429-48-1.
What is the molecular formula of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione?
The molecular formula of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione is C18H16N4O2.
What is the molecular weight of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione?
The molecular weight of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione is 320.13 g/mol.
Where can I buy 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione?
You can request a quote for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-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 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.