(E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
TL;DR: (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide (CAS 545359-29-3) is a chemical compound with molecular formula C17H23ClFNO and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
Also Known As: (2E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide, (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide, (2E)-3-(2-chloro-6-fluorophenyl)-N,N-bis(methylpropyl)prop-2-enamide
| Molecular Formula | C17H23ClFNO |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.9179 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.14523 |
| Heavy Atoms | 21 |
| Complexity | 485.26163 |
Chemical Identifiers
| CAS Number | 545359-29-3 |
|---|---|
| SMILES | CCC(C)N(C(C)CC)C(=O)/C=C/C1=C(C=CC=C1Cl)F |
Product Overview
(E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide (CAS 545359-29-3), with molecular formula C17H23ClFNO and molecular weight 311.15 g/mol. IUPAC: (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
Property Insights of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
The XLogP value of 4.9179 indicates that (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide has 0 hydrogen bond donor(s) and 1 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)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The CAS number of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is 545359-29-3.
What is the molecular formula of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The molecular formula of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is C17H23ClFNO.
What is the molecular weight of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The molecular weight of (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is 311.15 g/mol.
Where can I buy (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
You can request a quote for (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)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)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N,N-di(butan-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.