1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-80-5) is a chemical compound with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitropurine-2,6-dione
Also Known As: ASN 01541692, 1,3-dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitropurine-2,6-dione
| Molecular Formula | C15H15N5O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 0.69862 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.1124 |
| Heavy Atoms | 24 |
| Complexity | 1072.4131 |
Chemical Identifiers
| CAS Number | 477333-80-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C |
Product Overview
1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-80-5), with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol. IUPAC: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitropurine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.69862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 477333-80-5.
What is the molecular formula of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione is C15H15N5O4.
What is the molecular weight of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 329.11 g/mol.
Where can I buy 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-7-(4-methylbenzyl)-8-nitro-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.