5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
TL;DR: 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole (CAS 27164-14-3) is a chemical compound with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
Also Known As: 5-chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole, 5-chloro-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole
| Molecular Formula | C10H8ClNO4 |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.01419 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 27164-14-3 |
|---|---|
| SMILES | CC(=CC1=CC2=C(C=C1Cl)OCO2)[N+](=O)[O-] |
| InChIKey | DRRGCGQUVPCSRA-UHFFFAOYSA-N |
Product Overview
5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole (CAS 27164-14-3), with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol. IUPAC: 5-chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole.
Chemical Property Profile of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
Property Insights of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
The XLogP value of 3.0 indicates that 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole 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 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole 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 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole?
The CAS number of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole is 27164-14-3.
What is the molecular formula of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole?
The molecular formula of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole is C10H8ClNO4.
What is the molecular weight of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole?
The molecular weight of 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole is 241.01 g/mol.
Where can I buy 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole?
You can request a quote for 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.