7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione (CAS 877778-77-3) is a chemical compound with molecular formula C20H25N5O5 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C20H25N5O5 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.18558 |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 877778-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)O |
| InChIKey | MRMOWHRUCGNFOU-UHFFFAOYSA-N |
Product Overview
7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione (CAS 877778-77-3), with molecular formula C20H25N5O5 and molecular weight 415.19 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-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-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is 877778-77-3.
What is the molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is C20H25N5O5.
What is the molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is 415.19 g/mol.
Where can I buy 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-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-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.