![8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione structure](/static/products/3269/326919-29-3.webp)
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione (CAS 326919-29-3) is a chemical compound with molecular formula C21H26N6O6 and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_000878, BAS 00458001, 8-(azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione, 8-(1-azepanyl)-7-(2-hydroxy-3-{4-nitrophenoxy}propyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-azaperhydroepinyl-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-1,3,7-trih ydropurine-2,6-dione
| Molecular Formula | C21H26N6O6 |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 1.1518 |
| Topological Polar Surface Area | 148.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.19138 |
| Heavy Atoms | 33 |
| Complexity | 1253.2162 |
Chemical Identifiers
| CAS Number | 326919-29-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione (CAS 326919-29-3), with molecular formula C21H26N6O6 and molecular weight 458.19 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
The XLogP value of 1.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione. The TPSA of 148.52 Ų indicates high polarity, suggesting 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione has 2 hydrogen bond donor(s) and 8 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-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione is 326919-29-3.
What is the molecular formula of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione is C21H26N6O6.
What is the molecular weight of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione is 458.19 g/mol.
Where can I buy 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-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-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.