N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
TL;DR: N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (CAS 58458-52-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
Also Known As: N-(2-Hydroxyethyl)-3-methyl-4-phenyl-3-butenamide
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.5885 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 357.45517 |
Chemical Identifiers
| CAS Number | 58458-52-9 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)CC(=O)NCCO |
Product Overview
N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (CAS 58458-52-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide.
Chemical Property Profile of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
Property Insights of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
The XLogP value of 1.5885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide. With a topological polar surface area (TPSA) of 49.33 Ų, N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-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 N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The CAS number of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide is 58458-52-9.
What is the molecular formula of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The molecular formula of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide is C13H17NO2.
What is the molecular weight of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The molecular weight of N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide is 219.13 g/mol.
Where can I buy N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
You can request a quote for N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.