1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione
TL;DR: 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione (CAS 372508-79-7) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione
Also Known As: 1,7-dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione, AO-343/41780843, 1,7-dibenzyl-3-methyl-8-[(tetrahydro-2-furanylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 1,7-dibenzyl-3-methyl-8-(((tetrahydrofuran-2-yl)methyl)amino)-1H-purine-2,6(3H,7H)-dione, 1,7-dibenzyl-3-methyl-8-[(tetrahydrofuran-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 372508-79-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC4CCCO4)CC5=CC=CC=C5 |
| InChIKey | HQLAVNBTTDGILO-UHFFFAOYSA-N |
Product Overview
1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione (CAS 372508-79-7), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 1,7-dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione
Property Insights of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione
The XLogP value of 3.4 indicates that 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The CAS number of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione is 372508-79-7.
What is the molecular formula of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The molecular formula of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione is C25H27N5O3.
What is the molecular weight of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The molecular weight of 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione is 445.21 g/mol.
Where can I buy 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
You can request a quote for 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)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 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dibenzyl-3-methyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.