8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 335403-96-8) is a chemical compound with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 02378977, 8-(benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(BENZYLAMINO)-7-(2,3-DIHYDROXYPROPYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(benzylamino)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione, 8-(benzylamino)-7-(2,3-dihydroxypropyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C16H19N5O4 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | -0.6114 |
| Topological Polar Surface Area | 125.17 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.1437 |
| Heavy Atoms | 25 |
| Complexity | 989.4131 |
Chemical Identifiers
| CAS Number | 335403-96-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(CO)O |
Product Overview
8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 335403-96-8), with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol. IUPAC: 8-(benzylamino)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.6114 indicates that 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 4 hydrogen bond donor(s) and 6 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-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 335403-96-8.
What is the molecular formula of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C16H19N5O4.
What is the molecular weight of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 345.14 g/mol.
Where can I buy 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-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-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Benzylamino)-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.