8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 879072-27-2) is a chemical compound with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 15375069, VU0512732-1, F3176-0226, 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C17H21N5O2 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 0.85642 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.16953 |
| Heavy Atoms | 24 |
| Complexity | 1022.29114 |
Chemical Identifiers
| CAS Number | 879072-27-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N(C)C)N(C2=O)C |
Product Overview
8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 879072-27-2), with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol. IUPAC: 8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.85642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 0 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 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 879072-27-2.
What is the molecular formula of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C17H21N5O2.
What is the molecular weight of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 327.17 g/mol.
Where can I buy 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-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 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.