4-(2-Nitroprop-1-enyl)benzene-1,2-diol
TL;DR: 4-(2-Nitroprop-1-enyl)benzene-1,2-diol (CAS 13662-96-9) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitroprop-1-enyl)benzene-1,2-diol
Also Known As: 4-(2-nitroprop-1-enyl)benzene-1,2-diol, 1,2-Benzenediol, 4-(2-nitro-1-propenyl)-, 4-{2-nitro-1-propenyl}-1,2-benzenediol, 1,2-Benzenediol,4-(2-nitro-1-propenyl), 1,2-Benzenediol, 4-(2-nitro-1-propen-1-yl)-
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.7353 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 397.79846 |
Chemical Identifiers
| CAS Number | 13662-96-9 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1)O)O)[N+](=O)[O-] |
Product Overview
4-(2-Nitroprop-1-enyl)benzene-1,2-diol (CAS 13662-96-9), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 4-(2-nitroprop-1-enyl)benzene-1,2-diol.
Chemical Property Profile of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol
Property Insights of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol
The XLogP value of 1.7353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Nitroprop-1-enyl)benzene-1,2-diol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitroprop-1-enyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 4-(2-Nitroprop-1-enyl)benzene-1,2-diol 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 4-(2-Nitroprop-1-enyl)benzene-1,2-diol?
The CAS number of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol is 13662-96-9.
What is the molecular formula of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol?
The molecular formula of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol is C9H9NO4.
What is the molecular weight of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol?
The molecular weight of 4-(2-Nitroprop-1-enyl)benzene-1,2-diol is 195.05 g/mol.
Where can I buy 4-(2-Nitroprop-1-enyl)benzene-1,2-diol?
You can request a quote for 4-(2-Nitroprop-1-enyl)benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitroprop-1-enyl)benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitroprop-1-enyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.