(3-Fluoro-phenoxy)-acetic acid
TL;DR: (3-Fluoro-phenoxy)-acetic acid (CAS 404-98-8) is a chemical compound with molecular formula C14H10F3N3O2S and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Also Known As: (3-Fluoro-phenoxy)-acetic acid, 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(5-ethylthien-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(5-Ethylthien-2-yl)-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(5-ETHYL-2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
| Molecular Formula | C14H10F3N3O2S |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.7372 |
| Topological Polar Surface Area | 67.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0446 |
| Heavy Atoms | 23 |
| Complexity | 898.43506 |
Chemical Identifiers
| CAS Number | 404-98-8 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O |
Product Overview
(3-Fluoro-phenoxy)-acetic acid (CAS 404-98-8), with molecular formula C14H10F3N3O2S and molecular weight 341.04 g/mol. IUPAC: 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
Chemical Property Profile of (3-Fluoro-phenoxy)-acetic acid
Property Insights of (3-Fluoro-phenoxy)-acetic acid
The XLogP value of 3.7372 indicates that (3-Fluoro-phenoxy)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Fluoro-phenoxy)-acetic acid. Following Lipinski's Rule of Five, (3-Fluoro-phenoxy)-acetic acid has 1 hydrogen bond donor(s) and 4 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 (3-Fluoro-phenoxy)-acetic acid?
The CAS number of (3-Fluoro-phenoxy)-acetic acid is 404-98-8.
What is the molecular formula of (3-Fluoro-phenoxy)-acetic acid?
The molecular formula of (3-Fluoro-phenoxy)-acetic acid is C14H10F3N3O2S.
What is the molecular weight of (3-Fluoro-phenoxy)-acetic acid?
The molecular weight of (3-Fluoro-phenoxy)-acetic acid is 341.04 g/mol.
Where can I buy (3-Fluoro-phenoxy)-acetic acid?
You can request a quote for (3-Fluoro-phenoxy)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluoro-phenoxy)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluoro-phenoxy)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.