![1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone structure](/static/products/4320/432016-77-8.webp)
1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone
TL;DR: 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone (CAS 432016-77-8) is a chemical compound with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]ethanone
Also Known As: 432016-77-8 (free base), 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone, 1-[4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]ethanone, 1-(4-(2-(6-amino-9H-purin-9-yl)ethoxy)phenyl)ethan-1-one, 1-acetyl-4-[2-(6-aminopurin-9-yl)ethoxy]benzene
| Molecular Formula | C15H15N5O2 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1226 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 432016-77-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OCCN2C=NC3=C(N=CN=C32)N |
| InChIKey | ONZGILNKQYWMNI-UHFFFAOYSA-N |
Product Overview
1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone (CAS 432016-77-8), with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol. IUPAC: 1-[4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]ethanone.
Chemical Property Profile of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone
Property Insights of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone. Following Lipinski's Rule of Five, 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone has 1 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 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone?
The CAS number of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone is 432016-77-8.
What is the molecular formula of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone?
The molecular formula of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone is C15H15N5O2.
What is the molecular weight of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone?
The molecular weight of 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone is 297.12 g/mol.
Where can I buy 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone?
You can request a quote for 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[2-(6-amino-9H-purin-9-yl)ethoxy]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.