3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 861820-72-6) is a chemical compound with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-(1-phenylethylamino)purine-2,6-dione
Also Known As: UPCMLD0ENAT5901051:001, AB00683662-01, 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(3-methylphenyl)methyl]-8-(1-phenylethylamino)purine-2,6-dione, F3259-0479
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 2.95312 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 1284.2944 |
Chemical Identifiers
| CAS Number | 861820-72-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2NC(C)C4=CC=CC=C4)N(C(=O)NC3=O)C |
Product Overview
3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 861820-72-6), with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(1-phenylethylamino)purine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.95312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 4 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 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione is 861820-72-6.
What is the molecular formula of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione is C22H23N5O2.
What is the molecular weight of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione is 389.19 g/mol.
Where can I buy 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)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 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-methylbenzyl)-8-((1-phenylethyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.