2-(1,3-Dioxan-2-yl)-4-nitrophenol
TL;DR: 2-(1,3-Dioxan-2-yl)-4-nitrophenol (CAS 96086-68-9) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxan-2-yl)-4-nitrophenol
Also Known As: 2-(1,3-dioxan-2-yl)-4-nitrophenol, 2-(1,3-dioxan-2-yl)-4-nitro-phenol
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 96086-68-9 |
|---|---|
| SMILES | C1COC(OC1)C2=C(C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | DRGPRKWHEOQFQQ-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxan-2-yl)-4-nitrophenol (CAS 96086-68-9), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 2-(1,3-dioxan-2-yl)-4-nitrophenol.
Chemical Property Profile of 2-(1,3-Dioxan-2-yl)-4-nitrophenol
Property Insights of 2-(1,3-Dioxan-2-yl)-4-nitrophenol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxan-2-yl)-4-nitrophenol. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxan-2-yl)-4-nitrophenol. Following Lipinski's Rule of Five, 2-(1,3-Dioxan-2-yl)-4-nitrophenol has 1 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-(1,3-Dioxan-2-yl)-4-nitrophenol?
The CAS number of 2-(1,3-Dioxan-2-yl)-4-nitrophenol is 96086-68-9.
What is the molecular formula of 2-(1,3-Dioxan-2-yl)-4-nitrophenol?
The molecular formula of 2-(1,3-Dioxan-2-yl)-4-nitrophenol is C10H11NO5.
What is the molecular weight of 2-(1,3-Dioxan-2-yl)-4-nitrophenol?
The molecular weight of 2-(1,3-Dioxan-2-yl)-4-nitrophenol is 225.06 g/mol.
Where can I buy 2-(1,3-Dioxan-2-yl)-4-nitrophenol?
You can request a quote for 2-(1,3-Dioxan-2-yl)-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxan-2-yl)-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxan-2-yl)-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.