(-)-N-(1-Cyano-1-vanillylethyl)acetamide
TL;DR: (-)-N-(1-Cyano-1-vanillylethyl)acetamide (CAS 14818-98-5) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyano-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]acetamide
Also Known As: (-)-N-(1-Cyano-1-vanillylethyl)acetamide, n-[2-cyano-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]acetamide, 4,5-Diphenyl-3H-1,2-dithiol-3-thion, (-)-N-(alpha-Cyano-4-hydroxy-3-methoxy-alpha-methylphenethyl)acetamide, N-[1-CYANO-2-(4-HYDROXY-3-METHOXYPHENYL)-1-METHYLETHYL]ACETAMIDE
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 14818-98-5 |
|---|---|
| SMILES | CC(=O)NC(C)(CC1=CC(=C(C=C1)O)OC)C#N |
| InChIKey | LWNXUHPNXYVCQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(-)-N-(1-Cyano-1-vanillylethyl)acetamide (CAS 14818-98-5), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: N-[2-cyano-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]acetamide.
Chemical Property Profile of (-)-N-(1-Cyano-1-vanillylethyl)acetamide
Property Insights of (-)-N-(1-Cyano-1-vanillylethyl)acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-N-(1-Cyano-1-vanillylethyl)acetamide. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-N-(1-Cyano-1-vanillylethyl)acetamide. Following Lipinski's Rule of Five, (-)-N-(1-Cyano-1-vanillylethyl)acetamide has 2 hydrogen bond donor(s) and 4 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-(1-Cyano-1-vanillylethyl)acetamide?
The CAS number of (-)-N-(1-Cyano-1-vanillylethyl)acetamide is 14818-98-5.
What is the molecular formula of (-)-N-(1-Cyano-1-vanillylethyl)acetamide?
The molecular formula of (-)-N-(1-Cyano-1-vanillylethyl)acetamide is C13H16N2O3.
What is the molecular weight of (-)-N-(1-Cyano-1-vanillylethyl)acetamide?
The molecular weight of (-)-N-(1-Cyano-1-vanillylethyl)acetamide is 248.12 g/mol.
Where can I buy (-)-N-(1-Cyano-1-vanillylethyl)acetamide?
You can request a quote for (-)-N-(1-Cyano-1-vanillylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-N-(1-Cyano-1-vanillylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (-)-N-(1-Cyano-1-vanillylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.