![2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid structure](/static/products/4535/453557-66-9.webp)
2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid
TL;DR: 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid (CAS 453557-66-9) is a chemical compound with molecular formula C10H8F3NO2S and molecular weight 263.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylic acid
Also Known As: Bionet2_000582, 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid, trifluorobutenylsulfanylnicotinicacid, 2-[(3,4,4-trifluorobut-3-en-1-yl)thio]nicotinic acid, 2-[(3,4,4-Trifluoro-3-butenyl)-sulfanyl]nicotinic acid
| Molecular Formula | C10H8F3NO2S |
|---|---|
| Molecular Weight | 263.02 g/mol |
| LogP | 3.3396 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.0228 |
| Heavy Atoms | 17 |
| Complexity | 446.93207 |
Chemical Identifiers
| CAS Number | 453557-66-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCCC(=C(F)F)F)C(=O)O |
Product Overview
2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid (CAS 453557-66-9), with molecular formula C10H8F3NO2S and molecular weight 263.02 g/mol. IUPAC: 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid
Property Insights of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid
The XLogP value of 3.3396 indicates that 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid 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 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid?
The CAS number of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid is 453557-66-9.
What is the molecular formula of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid?
The molecular formula of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid is C10H8F3NO2S.
What is the molecular weight of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid?
The molecular weight of 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid is 263.02 g/mol.
Where can I buy 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid?
You can request a quote for 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.