8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 577787-42-9) is a chemical compound with molecular formula C18H15BrN4O2 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)purine-2,6-dione
Also Known As: 8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)purine-2,6-dione, 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H15BrN4O2 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.03784 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 577787-42-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC4=CC=CC=C4C=C3 |
| InChIKey | JJKLBBMGOWZPLO-UHFFFAOYSA-N |
Product Overview
8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 577787-42-9), with molecular formula C18H15BrN4O2 and molecular weight 398.04 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4 indicates that 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-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 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 577787-42-9.
What is the molecular formula of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is C18H15BrN4O2.
What is the molecular weight of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 398.04 g/mol.
Where can I buy 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-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 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-1,3-dimethyl-7-(2-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.