2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL
TL;DR: 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL (CAS 118022-32-5) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-2H-1,4-benzodioxin-3-ol
Also Known As: 2-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-2-ol, 3-(3-nitrophenyl)-2H-1,4-benzodioxin-3-ol, 2-(3-nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-ol, 2-(3-Nitrophenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-ol, 654-195-8
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.2113 |
| Topological Polar Surface Area | 81.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 672.1188 |
Chemical Identifiers
| CAS Number | 118022-32-5 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)(C3=CC(=CC=C3)[N+](=O)[O-])O |
Product Overview
2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL (CAS 118022-32-5), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: 3-(3-nitrophenyl)-2H-1,4-benzodioxin-3-ol.
Chemical Property Profile of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL
Property Insights of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL
The XLogP value of 2.2113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL. The TPSA of 81.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL. Following Lipinski's Rule of Five, 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL 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-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL?
The CAS number of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL is 118022-32-5.
What is the molecular formula of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL?
The molecular formula of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL is C14H11NO5.
What is the molecular weight of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL?
The molecular weight of 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL is 273.06 g/mol.
Where can I buy 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL?
You can request a quote for 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.