4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol
TL;DR: 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol (CAS 331460-87-8) is a chemical compound with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol
Also Known As: 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol, 4-(1,3-dithiolan-2-yl)-6-methoxy-2-nitrophenol, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenol, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrobenzenol, 4-(1,3-dithiolan-2-yl)-2-nitro-6-methoxyphenol
| Molecular Formula | C10H11NO4S2 |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.01294 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 331460-87-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])C2SCCS2 |
| InChIKey | ULFUOXVLFBJQIK-UHFFFAOYSA-N |
Product Overview
4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol (CAS 331460-87-8), with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol. IUPAC: 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol
Property Insights of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol has 1 hydrogen bond donor(s) and 6 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-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol?
The CAS number of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol is 331460-87-8.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol?
The molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol is C10H11NO4S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol?
The molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol is 273.01 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol?
You can request a quote for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.