2-fluoropropenoic acid
TL;DR: 2-fluoropropenoic acid (CAS 430-99-9) is a chemical compound with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
Also Known As: 2-fluoropropenoic acid, ASN 03800303, N-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-(4,6,8-TRIMETHYL-QUINOLIN-2-YLSULFANYL)-ACETAMIDE, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,8-trimethylquinolin-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H22N2O3S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 4.66206 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1351 |
| Heavy Atoms | 28 |
| Complexity | 1065.3215 |
Chemical Identifiers
| CAS Number | 430-99-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C)C |
Product Overview
2-fluoropropenoic acid (CAS 430-99-9), with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-fluoropropenoic acid
Property Insights of 2-fluoropropenoic acid
The XLogP value of 4.66206 indicates that 2-fluoropropenoic acid 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 2-fluoropropenoic acid. Following Lipinski's Rule of Five, 2-fluoropropenoic acid 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 2-fluoropropenoic acid?
The CAS number of 2-fluoropropenoic acid is 430-99-9.
What is the molecular formula of 2-fluoropropenoic acid?
The molecular formula of 2-fluoropropenoic acid is C22H22N2O3S.
What is the molecular weight of 2-fluoropropenoic acid?
The molecular weight of 2-fluoropropenoic acid is 394.14 g/mol.
Where can I buy 2-fluoropropenoic acid?
You can request a quote for 2-fluoropropenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoropropenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoropropenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.