![8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione structure](/static/products/879/879070-89-0.png)
8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
TL;DR: 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione (CAS 879070-89-0) is a chemical compound with molecular formula C17H19BrN4O4 and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: BAS 15374859, VU0512678-1, 8-bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione, F3176-0012, 8-bromo-7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H19BrN4O4 |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 1.24254 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.05896 |
| Heavy Atoms | 26 |
| Complexity | 1082.782 |
Chemical Identifiers
| CAS Number | 879070-89-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2Br)N(C(=O)NC3=O)C)O)C |
Product Overview
8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione (CAS 879070-89-0), with molecular formula C17H19BrN4O4 and molecular weight 422.06 g/mol. IUPAC: 8-bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Property Insights of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
The XLogP value of 1.24254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione has 2 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 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione?
The CAS number of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione is 879070-89-0.
What is the molecular formula of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione is C17H19BrN4O4.
What is the molecular weight of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione is 422.06 g/mol.
Where can I buy 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-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-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.