![(2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid structure](/static/products/3013/301313-36-0.webp)
(2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
TL;DR: (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid (CAS 301313-36-0) is a chemical compound with molecular formula C11H9F2NO3S and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(difluoromethylsulfanyl)anilino]-4-oxobut-2-enoic acid
Also Known As: BAS 01218554, (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid, (E)-4-[4-(difluoromethylsulfanyl)anilino]-4-oxobut-2-enoic acid, 3-(4-Difluoromethylsulfanyl-phenylcarbamoyl)-acrylic acid, (2E)-4-((4-[(DIFLUOROMETHYL) SULFANYL] PHENYL) AMINO)-4-OXOBUT-2-ENOIC ACID
| Molecular Formula | C11H9F2NO3S |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.02713 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 301313-36-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)SC(F)F |
| InChIKey | UJTWYFFPMVLPAB-AATRIKPKSA-N |
Product Overview
(2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid (CAS 301313-36-0), with molecular formula C11H9F2NO3S and molecular weight 273.03 g/mol. IUPAC: (E)-4-[4-(difluoromethylsulfanyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
Property Insights of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 6 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-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is 301313-36-0.
What is the molecular formula of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is C11H9F2NO3S.
What is the molecular weight of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid is 273.03 g/mol.
Where can I buy (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-({4-[(difluoromethyl)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-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-({4-[(difluoromethyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.