![7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione structure](/static/products/877/877781-72-1.png)
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
TL;DR: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 877781-72-1) is a chemical compound with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H30N6O4 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | -0.06618 |
| Topological Polar Surface Area | 97.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.23285 |
| Heavy Atoms | 32 |
| Complexity | 1235.6725 |
Chemical Identifiers
| CAS Number | 877781-72-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C)O |
Product Overview
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 877781-72-1), with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Property Insights of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
The XLogP value of -0.06618 indicates that 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)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 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 877781-72-1.
What is the molecular formula of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is C22H30N6O4.
What is the molecular weight of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 442.23 g/mol.
Where can I buy 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)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 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.