双水杨酯
TL;DR: 双水杨酯 (CAS 552-94-3) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双水杨酯
2-(2-hydroxybenzoyl)oxybenzoic acid
Also Known As: Salsalate, sasapyrine, Salicylsalicylic acid, Disalcid, Disalicylic acid
| Molecular Formula | C14H10O5 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05283 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| Melting Point | 147 |
| Solubility | 2.46e-01 g/L |
Chemical Identifiers
| CAS Number | 552-94-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O |
| InChIKey | WVYADZUPLLSGPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双水杨酯 (CAS 552-94-3), with molecular formula C14H10O5 and molecular weight 258.05 g/mol. IUPAC: 2-(2-hydroxybenzoyl)oxybenzoic acid.
Chemical Property Profile of 双水杨酯
Property Insights of 双水杨酯
The XLogP value of 3.0 indicates that 双水杨酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 双水杨酯. Following Lipinski's Rule of Five, 双水杨酯 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 双水杨酯?
The CAS number of 双水杨酯 is 552-94-3.
What is the molecular formula of 双水杨酯?
The molecular formula of 双水杨酯 is C14H10O5.
What is the molecular weight of 双水杨酯?
The molecular weight of 双水杨酯 is 258.05 g/mol.
Where can I buy 双水杨酯?
You can request a quote for 双水杨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双水杨酯?
Yes, KEHONG BIO provides custom synthesis services for 双水杨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.