1,2-Benzenediol, 4-(2-nitroethenyl)-
TL;DR: 1,2-Benzenediol, 4-(2-nitroethenyl)- (CAS 89942-72-3) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitroethenyl)benzene-1,2-diol
Also Known As: 1,2-Benzenediol, 4-(2-nitroethenyl)-, 4-(2-nitrovinyl)benzene-1,2-diol, 1-nitro-2-(3,4-dihydroxyphenyl)ethylene, 4-(2-NITROETHENYL)BENZENE-1,2-DIOL
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.3452 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 359.1617 |
Chemical Identifiers
| CAS Number | 89942-72-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C[N+](=O)[O-])O)O |
Product Overview
1,2-Benzenediol, 4-(2-nitroethenyl)- (CAS 89942-72-3), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 4-(2-nitroethenyl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 4-(2-nitroethenyl)-
Property Insights of 1,2-Benzenediol, 4-(2-nitroethenyl)-
The XLogP value of 1.3452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(2-nitroethenyl)-. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-(2-nitroethenyl)-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(2-nitroethenyl)- 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-Benzenediol, 4-(2-nitroethenyl)-?
The CAS number of 1,2-Benzenediol, 4-(2-nitroethenyl)- is 89942-72-3.
What is the molecular formula of 1,2-Benzenediol, 4-(2-nitroethenyl)-?
The molecular formula of 1,2-Benzenediol, 4-(2-nitroethenyl)- is C8H7NO4.
What is the molecular weight of 1,2-Benzenediol, 4-(2-nitroethenyl)-?
The molecular weight of 1,2-Benzenediol, 4-(2-nitroethenyl)- is 181.04 g/mol.
Where can I buy 1,2-Benzenediol, 4-(2-nitroethenyl)-?
You can request a quote for 1,2-Benzenediol, 4-(2-nitroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(2-nitroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.