(2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
TL;DR: (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide (CAS 110999-69-4) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-butan-2-yl-3-(4-chlorophenyl)prop-2-enamide
Also Known As: N-sec-Butyl-4-chloro-trans-cinnamamide, (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide, J1.339.997B, N-butan-2-yl-3-(4-chlorophenyl)prop-2-enamide, N-SEC-BUTYL-3-(4-CHLOROPHENYL)ACRYLAMIDE
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 3.2679 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 370.02393 |
Chemical Identifiers
| CAS Number | 110999-69-4 |
|---|---|
| SMILES | CCC(C)NC(=O)/C=C/C1=CC=C(C=C1)Cl |
Product Overview
(2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide (CAS 110999-69-4), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: (E)-N-butan-2-yl-3-(4-chlorophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
Property Insights of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
The XLogP value of 3.2679 indicates that (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide has 1 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 (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The CAS number of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is 110999-69-4.
What is the molecular formula of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The molecular formula of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is C13H16ClNO.
What is the molecular weight of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The molecular weight of (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is 237.09 g/mol.
Where can I buy (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
You can request a quote for (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)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 (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.