4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮
TL;DR: 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 (CAS 64224-71-1) is a chemical compound with molecular formula C8H6N2OS2 and molecular weight 209.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮
4-methyl-5-pyrazin-2-yldithiol-3-one
Also Known As: OLTIPRAZ METABOLITE M1, RP 365642, 3H-1,2-Dithiol-3-one, 4-methyl-5-(2-pyrazinyl)-, 4-methyl-5-(pyrazin-2-yl)-3h-1,2-dithiol-3-one, 4-methyl-5-pyrazin-2-yldithiol-3-one
| Molecular Formula | C8H6N2OS2 |
|---|---|
| Molecular Weight | 209.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99216 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 64224-71-1 |
|---|---|
| SMILES | CC1=C(SSC1=O)C2=NC=CN=C2 |
| InChIKey | SMSBUQWGANVQGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 (CAS 64224-71-1), with molecular formula C8H6N2OS2 and molecular weight 209.99 g/mol. IUPAC: 4-methyl-5-pyrazin-2-yldithiol-3-one.
Chemical Property Profile of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮
Property Insights of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮. Following Lipinski's Rule of Five, 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 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 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮?
The CAS number of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 is 64224-71-1.
What is the molecular formula of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮?
The molecular formula of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 is C8H6N2OS2.
What is the molecular weight of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮?
The molecular weight of 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 is 209.99 g/mol.
Where can I buy 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮?
You can request a quote for 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-5-(吡嗪-2-基)-3H-1,2-二硫杂环戊烯-3-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.