二氟尼柳
TL;DR: 二氟尼柳 (CAS 22494-42-4) is a chemical compound with molecular formula C13H8F2O3 and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氟尼柳
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
Also Known As: diflunisal, Dolobid, Dolobis, Flovacil, Fluniget
| Molecular Formula | C13H8F2O3 |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04414 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| Melting Point | 210-211 |
| Solubility | Practically insoluble (14.5 mg/L) at neutral or acidic pH. |
Chemical Identifiers
| CAS Number | 22494-42-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O |
| InChIKey | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氟尼柳 (CAS 22494-42-4), with molecular formula C13H8F2O3 and molecular weight 250.04 g/mol. IUPAC: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid.
Chemical Property Profile of 二氟尼柳
Property Insights of 二氟尼柳
The XLogP value of 4.4 indicates that 二氟尼柳 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 二氟尼柳 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氟尼柳 has 2 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 二氟尼柳?
The CAS number of 二氟尼柳 is 22494-42-4.
What is the molecular formula of 二氟尼柳?
The molecular formula of 二氟尼柳 is C13H8F2O3.
What is the molecular weight of 二氟尼柳?
The molecular weight of 二氟尼柳 is 250.04 g/mol.
Where can I buy 二氟尼柳?
You can request a quote for 二氟尼柳 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氟尼柳?
Yes, KEHONG BIO provides custom synthesis services for 二氟尼柳 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.