![N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide structure](/static/products/4782/478247-66-4.webp)
N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
TL;DR: N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide (CAS 478247-66-4) is a chemical compound with molecular formula C20H21F3N2O3S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide
Also Known As: 9N-702, N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxamide
| Molecular Formula | C20H21F3N2O3S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.6311 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.1225 |
| Heavy Atoms | 29 |
| Complexity | 873.8 |
Chemical Identifiers
| CAS Number | 478247-66-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCCC(=C(F)F)F)OC |
Product Overview
N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide (CAS 478247-66-4), with molecular formula C20H21F3N2O3S and molecular weight 426.12 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide.
Chemical Property Profile of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
Property Insights of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
The XLogP value of 4.6311 indicates that N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The CAS number of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is 478247-66-4.
What is the molecular formula of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The molecular formula of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is C20H21F3N2O3S.
What is the molecular weight of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The molecular weight of N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is 426.12 g/mol.
Where can I buy N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
You can request a quote for N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenethyl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.