(E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
TL;DR: (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 445249-60-5) is a chemical compound with molecular formula C17H13ClFNO3 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Also Known As: (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide, (2E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide, (2E)-N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-3-(2-chloro-6-fluorophenyl)prop-2-e namide
| Molecular Formula | C17H13ClFNO3 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 3.9022 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0568 |
| Heavy Atoms | 23 |
| Complexity | 756.17896 |
Chemical Identifiers
| CAS Number | 445249-60-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F |
Product Overview
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 445249-60-5), with molecular formula C17H13ClFNO3 and molecular weight 333.06 g/mol. IUPAC: (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Property Insights of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
The XLogP value of 3.9022 indicates that (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The CAS number of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 445249-60-5.
What is the molecular formula of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular formula of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is C17H13ClFNO3.
What is the molecular weight of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular weight of (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 333.06 g/mol.
Where can I buy (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
You can request a quote for (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.