![2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate structure](/static/products/4780/478081-05-9.webp)
2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate
TL;DR: 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate (CAS 478081-05-9) is a chemical compound with molecular formula C17H10F3NO4S2 and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-6-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylate
Also Known As: 8N-715, 2-oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate, (2-oxo-1,3-benzoxathiol-6-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylate, 2-oxo-2H-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxylate, 2-oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxylate
| Molecular Formula | C17H10F3NO4S2 |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 5.0285 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.00034 |
| Heavy Atoms | 27 |
| Complexity | 1073.2258 |
Chemical Identifiers
| CAS Number | 478081-05-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCCC(=C(F)F)F)C(=O)OC2=CC3=C(C=C2)SC(=O)O3 |
Product Overview
2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate (CAS 478081-05-9), with molecular formula C17H10F3NO4S2 and molecular weight 413.00 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-6-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate
Property Insights of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate
The XLogP value of 5.0285 indicates that 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate?
The CAS number of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate is 478081-05-9.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate is C17H10F3NO4S2.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate is 413.00 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-6-yl 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.