5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
TL;DR: 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole (CAS 142688-31-1) is a chemical compound with molecular formula C19H14BrN3O2S and molecular weight 426.99902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
Also Known As: 5-bromo-3-(pyrimidin-5-yl)-1-tosyl-1H-indole, 5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-yl-indole
Technical Specifications
| Molecular Formula | C19H14BrN3O2S |
| Molecular Weight | 426.99902 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.99902 Da |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=CN=CN=C4 |
| InChIKey | XALMSZHWSTXLTI-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
Property Insights of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
The XLogP value of 4.2 indicates that 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole. Following Lipinski's Rule of Five, 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole 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
What is the CAS number of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole?
The CAS number of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole is 142688-31-1.
What is the molecular formula of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole?
The molecular formula of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole is C19H14BrN3O2S.
What is the molecular weight of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole?
The molecular weight of 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole is 426.99902 g/mol.
Where can I buy 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole?
You can request a quote for 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.