3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 327098-98-6) is a chemical compound with molecular formula C23H25N5O2 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methylphenyl)methylamino]-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00964868, 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, AB00667619-01, AB00667619-02, F0372-0536
| Molecular Formula | C23H25N5O2 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 2.97662 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.20084 |
| Heavy Atoms | 30 |
| Complexity | 1267.4353 |
Chemical Identifiers
| CAS Number | 327098-98-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 327098-98-6), with molecular formula C23H25N5O2 and molecular weight 403.20 g/mol. IUPAC: 3-methyl-8-[(4-methylphenyl)methylamino]-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.97662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-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-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-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-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 327098-98-6.
What is the molecular formula of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C23H25N5O2.
What is the molecular weight of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 403.20 g/mol.
Where can I buy 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-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-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((4-methylbenzyl)amino)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.