8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 19977-32-3) is a chemical compound with molecular formula C11H13BrN4O3 and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione, BAS 01122578, 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione, F0403-0059, 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C11H13BrN4O3 |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 0.3462 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0171 |
| Heavy Atoms | 19 |
| Complexity | 798.84393 |
Chemical Identifiers
| CAS Number | 19977-32-3 |
|---|---|
| SMILES | CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
Product Overview
8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 19977-32-3), with molecular formula C11H13BrN4O3 and molecular weight 328.02 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of 0.3462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-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-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 19977-32-3.
What is the molecular formula of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C11H13BrN4O3.
What is the molecular weight of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 328.02 g/mol.
Where can I buy 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)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 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.