2-(2-Thenyl)sulfonyl-5-bromopyrimidine
TL;DR: 2-(2-Thenyl)sulfonyl-5-bromopyrimidine (CAS 79685-33-9) is a chemical compound with molecular formula C9H7BrN2O2S2 and molecular weight 317.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidine
Also Known As: 2-(2-Thenyl)sulfonyl-5-bromopyrimidine, NY 4137, 5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidine, 5-Bromo-2-((2-thienylmethyl)sulfonyl)pyrimidine, Pyrimidine, 5-bromo-2-((2-thienylmethyl)sulfonyl)-
| Molecular Formula | C9H7BrN2O2S2 |
|---|---|
| Molecular Weight | 317.91 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.91324 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 79685-33-9 |
|---|---|
| SMILES | C1=CSC(=C1)CS(=O)(=O)C2=NC=C(C=N2)Br |
| InChIKey | DDFKYMKZRGHLAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Thenyl)sulfonyl-5-bromopyrimidine (CAS 79685-33-9), with molecular formula C9H7BrN2O2S2 and molecular weight 317.91 g/mol. IUPAC: 5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidine.
Chemical Property Profile of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine
Property Insights of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Thenyl)sulfonyl-5-bromopyrimidine. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Thenyl)sulfonyl-5-bromopyrimidine. Following Lipinski's Rule of Five, 2-(2-Thenyl)sulfonyl-5-bromopyrimidine has 0 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 2-(2-Thenyl)sulfonyl-5-bromopyrimidine?
The CAS number of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine is 79685-33-9.
What is the molecular formula of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine?
The molecular formula of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine is C9H7BrN2O2S2.
What is the molecular weight of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine?
The molecular weight of 2-(2-Thenyl)sulfonyl-5-bromopyrimidine is 317.91 g/mol.
Where can I buy 2-(2-Thenyl)sulfonyl-5-bromopyrimidine?
You can request a quote for 2-(2-Thenyl)sulfonyl-5-bromopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thenyl)sulfonyl-5-bromopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thenyl)sulfonyl-5-bromopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.