4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯
TL;DR: 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 (CAS 17055-07-1) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯
4-methoxy-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
Also Known As: BETA-NITROISOMYRISTICIN, 4-methoxy-6-(2-nitroprop-1-enyl)-1,3-benzodioxole, 4-Methoxy-6-(2-nitro-1-propenyl)-1,3-benzodioxole, 1-(3-methoxy-4,5-(methylenedioxy)phenyl)-2-nitropropene, 4-Methoxy-6-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 17055-07-1 |
|---|---|
| SMILES | CC(=CC1=CC2=C(C(=C1)OC)OCO2)[N+](=O)[O-] |
| InChIKey | URIZGFKLZDNSIH-UHFFFAOYSA-N |
Product Overview
4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 (CAS 17055-07-1), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: 4-methoxy-6-(2-nitroprop-1-enyl)-1,3-benzodioxole.
Chemical Property Profile of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯
Property Insights of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯. Following Lipinski's Rule of Five, 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 has 0 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 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯?
The CAS number of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 is 17055-07-1.
What is the molecular formula of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯?
The molecular formula of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 is C11H11NO5.
What is the molecular weight of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯?
The molecular weight of 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 is 237.06 g/mol.
Where can I buy 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯?
You can request a quote for 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基-6-(2-硝基丙-1-烯基)-1,3-苯并二氧杂环戊烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.