![8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione structure](/static/products/850/850189-33-2.png)
8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione (CAS 850189-33-2) is a chemical compound with molecular formula C22H29N5O4 and molecular weight 427.22 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-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 09857771, 8-(azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(azepan-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(AZEPAN-1-YL)-7-[2-HYDROXY-3-(3-METHYLPHENOXY)PROPYL]-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H29N5O4 |
|---|---|
| Molecular Weight | 427.22 g/mol |
| LogP | 1.55202 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22195 |
| Heavy Atoms | 31 |
| Complexity | 1170.8385 |
Chemical Identifiers
| CAS Number | 850189-33-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C)O |
Product Overview
8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione (CAS 850189-33-2), with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
The XLogP value of 1.55202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione has 2 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-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is 850189-33-2.
What is the molecular formula of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is C22H29N5O4.
What is the molecular weight of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is 427.22 g/mol.
Where can I buy 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)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-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.