8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 106939-20-2) is a chemical compound with molecular formula C20H27N5O2 and molecular weight 369.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-heptyl-3-methylpurine-2,6-dione
Also Known As: 8-(benzylamino)-7-heptyl-3-methylpurine-2,6-dione, 8-(benzylamino)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H27N5O2 |
|---|---|
| Molecular Weight | 369.22 g/mol |
| LogP | 3.0058 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.21646 |
| Heavy Atoms | 27 |
| Complexity | 1000.8694 |
Chemical Identifiers
| CAS Number | 106939-20-2 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 106939-20-2), with molecular formula C20H27N5O2 and molecular weight 369.22 g/mol. IUPAC: 8-(benzylamino)-7-heptyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.0058 indicates that 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-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-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 106939-20-2.
What is the molecular formula of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C20H27N5O2.
What is the molecular weight of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 369.22 g/mol.
Where can I buy 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(benzylamino)-7-heptyl-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-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.