![N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide structure](/static/products/3391/339106-80-8.webp)
N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide (CAS 339106-80-8) is a chemical compound with molecular formula C17H13F3N2O3S and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide
Also Known As: 8N-752, N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide, N-(2H-1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxamide, N-(1,3-benzodioxol-5-yl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide
| Molecular Formula | C17H13F3N2O3S |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 4.6224 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.0599 |
| Heavy Atoms | 26 |
| Complexity | 856.8968 |
Chemical Identifiers
| CAS Number | 339106-80-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide (CAS 339106-80-8), with molecular formula C17H13F3N2O3S and molecular weight 382.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide
The XLogP value of 4.6224 indicates that N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is 339106-80-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is C17H13F3N2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide is 382.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.