1-(2-Nitrophenyl)-1,2-ethanediol
TL;DR: 1-(2-Nitrophenyl)-1,2-ethanediol (CAS 51962-27-7) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)ethane-1,2-diol
Also Known As: 1-(2-Nitrophenyl)-1,2-ethanediol, 1-(2-nitrophenyl)ethane-1,2-diol, 2-Nitrostyrene glycol, o-Nitrostyrene glycol, o-nitrophenyl ethylene glycol
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 51962-27-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CO)O)[N+](=O)[O-] |
| InChIKey | AYVFQXVSRJXIDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Nitrophenyl)-1,2-ethanediol (CAS 51962-27-7), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 1-(2-nitrophenyl)ethane-1,2-diol.
Chemical Property Profile of 1-(2-Nitrophenyl)-1,2-ethanediol
Property Insights of 1-(2-Nitrophenyl)-1,2-ethanediol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitrophenyl)-1,2-ethanediol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrophenyl)-1,2-ethanediol. Following Lipinski's Rule of Five, 1-(2-Nitrophenyl)-1,2-ethanediol has 2 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 1-(2-Nitrophenyl)-1,2-ethanediol?
The CAS number of 1-(2-Nitrophenyl)-1,2-ethanediol is 51962-27-7.
What is the molecular formula of 1-(2-Nitrophenyl)-1,2-ethanediol?
The molecular formula of 1-(2-Nitrophenyl)-1,2-ethanediol is C8H9NO4.
What is the molecular weight of 1-(2-Nitrophenyl)-1,2-ethanediol?
The molecular weight of 1-(2-Nitrophenyl)-1,2-ethanediol is 183.05 g/mol.
Where can I buy 1-(2-Nitrophenyl)-1,2-ethanediol?
You can request a quote for 1-(2-Nitrophenyl)-1,2-ethanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitrophenyl)-1,2-ethanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrophenyl)-1,2-ethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.