7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 877802-81-8) 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-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione, 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H30N6O4 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.23285 |
| Heavy Atoms | 32 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 877802-81-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)CCC4=CC=C(C=C4)OC |
| InChIKey | HJGIGYHYSKRSQB-UHFFFAOYSA-N |
Product Overview
7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 877802-81-8), with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol. IUPAC: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione has 2 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-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 877802-81-8.
What is the molecular formula of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is C22H30N6O4.
What is the molecular weight of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 442.23 g/mol.
Where can I buy 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-methoxyphenethyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.