![1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione structure](/static/products/847/847852-94-2.png)
1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione
TL;DR: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione (CAS 847852-94-2) is a chemical compound with molecular formula C19H22N6O5 and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione
Also Known As: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione, 1,3-dimethyl-7-(4-nitrobenzyl)-8-(((tetrahydrofuran-2-yl)methyl)amino)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-(4-nitrobenzyl)-8-[(tetrahydrofuran-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H22N6O5 |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | 0.9811 |
| Topological Polar Surface Area | 126.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16516 |
| Heavy Atoms | 30 |
| Complexity | 1217.4165 |
Chemical Identifiers
| CAS Number | 847852-94-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione (CAS 847852-94-2), with molecular formula C19H22N6O5 and molecular weight 414.17 g/mol. IUPAC: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione
Property Insights of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione
The XLogP value of 0.9811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione. The TPSA of 126.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione has 1 hydrogen bond donor(s) and 7 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 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione is 847852-94-2.
What is the molecular formula of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione is C19H22N6O5.
What is the molecular weight of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione is 414.17 g/mol.
Where can I buy 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-[(4-nitrophenyl)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 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.