2-(3-硝基苯基)-1,3-二硫杂环戊烷
TL;DR: 2-(3-硝基苯基)-1,3-二硫杂环戊烷 (CAS 23229-30-3) is a chemical compound with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-硝基苯基)-1,3-二硫杂环戊烷
2-(3-nitrophenyl)-1,3-dithiolane
Also Known As: 2-(3-nitrophenyl)-1,3-dithiolane, 2-(m-Nitrophenyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(m-NITROPHENYL)-, 5-19-01-00449 (Beilstein Handbook Reference), RefChem:1061108
| Molecular Formula | C9H9NO2S2 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.00748 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 23229-30-3 |
|---|---|
| SMILES | C1CSC(S1)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | CUTHPEQFELNRMC-UHFFFAOYSA-N |
Product Overview
2-(3-硝基苯基)-1,3-二硫杂环戊烷 (CAS 23229-30-3), with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol. IUPAC: 2-(3-nitrophenyl)-1,3-dithiolane.
Chemical Property Profile of 2-(3-硝基苯基)-1,3-二硫杂环戊烷
Property Insights of 2-(3-硝基苯基)-1,3-二硫杂环戊烷
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-硝基苯基)-1,3-二硫杂环戊烷. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-硝基苯基)-1,3-二硫杂环戊烷. Following Lipinski's Rule of Five, 2-(3-硝基苯基)-1,3-二硫杂环戊烷 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
Frequently Asked Questions
What is the CAS number of 2-(3-硝基苯基)-1,3-二硫杂环戊烷?
The CAS number of 2-(3-硝基苯基)-1,3-二硫杂环戊烷 is 23229-30-3.
What is the molecular formula of 2-(3-硝基苯基)-1,3-二硫杂环戊烷?
The molecular formula of 2-(3-硝基苯基)-1,3-二硫杂环戊烷 is C9H9NO2S2.
What is the molecular weight of 2-(3-硝基苯基)-1,3-二硫杂环戊烷?
The molecular weight of 2-(3-硝基苯基)-1,3-二硫杂环戊烷 is 227.01 g/mol.
Where can I buy 2-(3-硝基苯基)-1,3-二硫杂环戊烷?
You can request a quote for 2-(3-硝基苯基)-1,3-二硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-硝基苯基)-1,3-二硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-硝基苯基)-1,3-二硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.