![(2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid structure](/static/products/3142/314279-18-0.webp)
(2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
TL;DR: (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid (CAS 314279-18-0) is a chemical compound with molecular formula C13H8F7NO3S and molecular weight 391.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid, (E)-4-oxo-4-((4-((perfluoropropyl)thio)phenyl)amino)but-2-enoic acid, (2E)-3-{N-[4-(1,1,2,2,3,3,3-heptafluoropropylthio)phenyl]carbamoyl}prop-2-enoi c acid, (2E)-4-{4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]anilino}-4-oxo-2-butenoic acid, (E)-4-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoic acid
| Molecular Formula | C13H8F7NO3S |
|---|---|
| Molecular Weight | 391.01 g/mol |
| LogP | 4.1484 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.01132 |
| Heavy Atoms | 25 |
| Complexity | 671.1954 |
Chemical Identifiers
| CAS Number | 314279-18-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)SC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
(2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid (CAS 314279-18-0), with molecular formula C13H8F7NO3S and molecular weight 391.01 g/mol. IUPAC: (E)-4-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
Property Insights of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
The XLogP value of 4.1484 indicates that (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid has 2 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 (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is 314279-18-0.
What is the molecular formula of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is C13H8F7NO3S.
What is the molecular weight of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is 391.01 g/mol.
Where can I buy (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.