8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 303970-31-2) is a chemical compound with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 00844056, 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, F0373-1138, 8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H13BrN4O2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0222 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 303970-31-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C |
| InChIKey | UBOMXZZVAKZXEJ-UHFFFAOYSA-N |
Product Overview
8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 303970-31-2), with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol. IUPAC: 8-bromo-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 3 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-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 303970-31-2.
What is the molecular formula of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C14H13BrN4O2.
What is the molecular weight of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 348.02 g/mol.
Where can I buy 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-3-methyl-7-(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-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.