(2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
TL;DR: (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one (CAS 170807-45-1) is a chemical compound with molecular formula C17H12ClNO6 and molecular weight 361.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Also Known As: (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one, (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one, (E)-3-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C17H12ClNO6 |
|---|---|
| Molecular Weight | 361.04 g/mol |
| LogP | 3.7164 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0353 |
| Heavy Atoms | 25 |
| Complexity | 892.9471 |
Chemical Identifiers
| CAS Number | 170807-45-1 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OCO1 |
Product Overview
(2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one (CAS 170807-45-1), with molecular formula C17H12ClNO6 and molecular weight 361.04 g/mol. IUPAC: (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Property Insights of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
The XLogP value of 3.7164 indicates that (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 6 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 (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The CAS number of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is 170807-45-1.
What is the molecular formula of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The molecular formula of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is C17H12ClNO6.
What is the molecular weight of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The molecular weight of (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is 361.04 g/mol.
Where can I buy (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
You can request a quote for (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.