![3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide structure](/static/products/3333/333346-03-5.webp)
3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide
TL;DR: 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide (CAS 333346-03-5) is a chemical compound with molecular formula C20H21N3O and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
Also Known As: BAS 00781224, 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide, 3-(4-tert-Butyl-phenyl)-2-cyano-N-pyridin-3-ylmethyl-acrylamide, 3-(4-tert-butylphenyl)-2-cyano-N-(3-pyridinylmethyl)acrylamide, (2E)-3-(4-tert-butylphenyl)-2-cyano-N-(3-pyridinylmethyl)-2-propenamide
| Molecular Formula | C20H21N3O |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 3.60248 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.16846 |
| Heavy Atoms | 24 |
| Complexity | 763.27155 |
Chemical Identifiers
| CAS Number | 333346-03-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2 |
Product Overview
3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide (CAS 333346-03-5), with molecular formula C20H21N3O and molecular weight 319.17 g/mol. IUPAC: (E)-3-(4-tert-butylphenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide.
Chemical Property Profile of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide
Property Insights of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide
The XLogP value of 3.60248 indicates that 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]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 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide?
The CAS number of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide is 333346-03-5.
What is the molecular formula of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide?
The molecular formula of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide is C20H21N3O.
What is the molecular weight of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide?
The molecular weight of 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide is 319.17 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide?
You can request a quote for 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]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 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.