![6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one structure](/static/products/862/862487-92-1.png)
6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
TL;DR: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 862487-92-1) is a chemical compound with molecular formula C22H27N7O4 and molecular weight 453.21 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]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione
Also Known As: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione, 7-[2-HYDROXY-3-(3-METHYLPHENOXY)PROPYL]-8-{[3-(1H-IMIDAZOL-1-YL)PROPYL]AMINO}-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H27N7O4 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 0.87032 |
| Topological Polar Surface Area | 131.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.21246 |
| Heavy Atoms | 33 |
| Complexity | 1337.2805 |
Chemical Identifiers
| CAS Number | 862487-92-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C)O |
Product Overview
6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 862487-92-1), with molecular formula C22H27N7O4 and molecular weight 453.21 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
Property Insights of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
The XLogP value of 0.87032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one. The TPSA of 131.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one. Following Lipinski's Rule of Five, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one has 3 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 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one?
The CAS number of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one is 862487-92-1.
What is the molecular formula of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular formula of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one is C22H27N7O4.
What is the molecular weight of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular weight of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one is 453.21 g/mol.
Where can I buy 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one?
You can request a quote for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.