![7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/331/331726-26-2.png)
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331726-26-2) is a chemical compound with molecular formula C15H15BrN4O4S and molecular weight 426.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-mercapto-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H15BrN4O4S |
|---|---|
| Molecular Weight | 426.00 g/mol |
| LogP | 1.28829 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.99973 |
| Heavy Atoms | 25 |
| Complexity | 1080.0801 |
Chemical Identifiers
| CAS Number | 331726-26-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=C(C=C3)Br)O |
Product Overview
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331726-26-2), with molecular formula C15H15BrN4O4S and molecular weight 426.00 g/mol. IUPAC: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.28829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione has 3 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 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 331726-26-2.
What is the molecular formula of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is C15H15BrN4O4S.
What is the molecular weight of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 426.00 g/mol.
Where can I buy 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-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 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.