舒洛芬
TL;DR: 舒洛芬 (CAS 40828-46-4) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒洛芬
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
Also Known As: suprofen, Profenal, Sutoprofen, Suprol, Masterfen
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| Melting Point | 124.3 |
| Solubility | limited solubility |
Chemical Identifiers
| CAS Number | 40828-46-4 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O |
| InChIKey | MDKGKXOCJGEUJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
舒洛芬 (CAS 40828-46-4), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.
Chemical Property Profile of 舒洛芬
Property Insights of 舒洛芬
The XLogP value of 3.3 indicates that 舒洛芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 舒洛芬. Following Lipinski's Rule of Five, 舒洛芬 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 舒洛芬?
The CAS number of 舒洛芬 is 40828-46-4.
What is the molecular formula of 舒洛芬?
The molecular formula of 舒洛芬 is C14H12O3S.
What is the molecular weight of 舒洛芬?
The molecular weight of 舒洛芬 is 260.05 g/mol.
Where can I buy 舒洛芬?
You can request a quote for 舒洛芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒洛芬?
Yes, KEHONG BIO provides custom synthesis services for 舒洛芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.