3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
TL;DR: 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide (CAS 77871-53-5) is a chemical compound with molecular formula C17H17ClN2O and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
Also Known As: 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide, 3-(benzylamino)-N-(4-chlorophenyl)-2-butenamide
| Molecular Formula | C17H17ClN2O |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.9721 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.10294 |
| Heavy Atoms | 21 |
| Complexity | 620.99817 |
Chemical Identifiers
| CAS Number | 77871-53-5 |
|---|---|
| SMILES | CC(=CC(=O)NC1=CC=C(C=C1)Cl)NCC2=CC=CC=C2 |
Product Overview
3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide (CAS 77871-53-5), with molecular formula C17H17ClN2O and molecular weight 300.10 g/mol. IUPAC: 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide.
Chemical Property Profile of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
Property Insights of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
The XLogP value of 3.9721 indicates that 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide has 2 hydrogen bond donor(s) and 2 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 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide?
The CAS number of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide is 77871-53-5.
What is the molecular formula of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide?
The molecular formula of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide is C17H17ClN2O.
What is the molecular weight of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide?
The molecular weight of 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide is 300.10 g/mol.
Where can I buy 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide?
You can request a quote for 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.