1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-
TL;DR: 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- (CAS 61675-23-8) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-nitroethenyl)-1,3-benzodioxol-5-ol
Also Known As: 1-Methyl-6-benzyloxy-tryptamin, 6-(2-nitroethenyl)-1,3-benzodioxol-5-ol, 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-, 6-(2-Nitroethen-1-yl)-2H-1,3-benzodioxol-5-ol
| Molecular Formula | C9H7NO5 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.03242 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 61675-23-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C[N+](=O)[O-])O |
| InChIKey | IZQDCWXYBYGLMU-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- (CAS 61675-23-8), with molecular formula C9H7NO5 and molecular weight 209.03 g/mol. IUPAC: 6-(2-nitroethenyl)-1,3-benzodioxol-5-ol.
Chemical Property Profile of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-
Property Insights of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- 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 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-?
The CAS number of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- is 61675-23-8.
What is the molecular formula of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-?
The molecular formula of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- is C9H7NO5.
What is the molecular weight of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-?
The molecular weight of 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- is 209.03 g/mol.
Where can I buy 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-?
You can request a quote for 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.