1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene
TL;DR: 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene (CAS 1211-65-0) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrobut-1-enyl)-1,3-benzodioxole
Also Known As: 5-(2-nitrobut-1-enyl)-1,3-benzodioxole, 1,3-Benzodioxole,5-(2-nitro-1-buten-1-yl)-, 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 1211-65-0 |
|---|---|
| SMILES | CCC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-] |
| InChIKey | LHWIZYOSZOQHOY-UHFFFAOYSA-N |
Product Overview
1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene (CAS 1211-65-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 5-(2-nitrobut-1-enyl)-1,3-benzodioxole.
Chemical Property Profile of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene
Property Insights of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene
The XLogP value of 3.2 indicates that 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene. Following Lipinski's Rule of Five, 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene has 0 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-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene?
The CAS number of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene is 1211-65-0.
What is the molecular formula of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene?
The molecular formula of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene is C11H11NO4.
What is the molecular weight of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene?
The molecular weight of 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene is 221.07 g/mol.
Where can I buy 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene?
You can request a quote for 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Methylenedioxyphenyl)-2-nitro-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.