![6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one structure](/static/products/849/849918-83-8.png)
6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
TL;DR: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one (CAS 849918-83-8) is a chemical compound with molecular formula C22H31N5O5 and molecular weight 445.23 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]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
| Molecular Formula | C22H31N5O5 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.2325 |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 849918-83-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)NC3=O)C)O |
| InChIKey | CBUKOAZGSAQYSF-UHFFFAOYSA-N |
Product Overview
6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one (CAS 849918-83-8), with molecular formula C22H31N5O5 and molecular weight 445.23 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
Chemical Property Profile of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
Property Insights of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one. Following Lipinski's Rule of Five, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-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]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one?
The CAS number of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one is 849918-83-8.
What is the molecular formula of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one?
The molecular formula of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one is C22H31N5O5.
What is the molecular weight of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one?
The molecular weight of 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one is 445.23 g/mol.
Where can I buy 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one?
You can request a quote for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-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]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.