8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione
TL;DR: 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione (CAS 300703-56-4) is a chemical compound with molecular formula C20H19N5O2 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione
Also Known As: 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione, VU0222098-5, 8-(dibenzylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(dibenzylamino)-3-methyl-7H-purine-2,6-quinone, 8-(dibenzylamino)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H19N5O2 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.15387 |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 300703-56-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | BAQYLSHBMZLMHZ-UHFFFAOYSA-N |
Product Overview
8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione (CAS 300703-56-4), with molecular formula C20H19N5O2 and molecular weight 361.15 g/mol. IUPAC: 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione
Property Insights of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione has 2 hydrogen bond donor(s) and 4 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-(dibenzylamino)-3-methyl-7H-purine-2,6-dione?
The CAS number of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione is 300703-56-4.
What is the molecular formula of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione?
The molecular formula of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione is C20H19N5O2.
What is the molecular weight of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione?
The molecular weight of 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione is 361.15 g/mol.
Where can I buy 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione?
You can request a quote for 8-(dibenzylamino)-3-methyl-7H-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-(dibenzylamino)-3-methyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dibenzylamino)-3-methyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.