比沙可啶
TL;DR: 比沙可啶 (CAS 603-50-9) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
比沙可啶
[4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
Also Known As: bisacodyl, Dulcolax, Theralax, Bicol, Sk-bisacodyl
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 457.0 |
| Melting Point | 138 |
| Solubility | Practically insoluble in water and alkaline solvents. Soluble in acids, alcohol, acetone, propylene glycol and other organic solvents. |
| Vapor Pressure | 4.8X10-8 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 603-50-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 |
| InChIKey | KHOITXIGCFIULA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
比沙可啶 (CAS 603-50-9), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate.
Chemical Property Profile of 比沙可啶
Property Insights of 比沙可啶
The XLogP value of 3.8 indicates that 比沙可啶 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 比沙可啶. Following Lipinski's Rule of Five, 比沙可啶 has 0 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 比沙可啶?
The CAS number of 比沙可啶 is 603-50-9.
What is the molecular formula of 比沙可啶?
The molecular formula of 比沙可啶 is C22H19NO4.
What is the molecular weight of 比沙可啶?
The molecular weight of 比沙可啶 is 361.13 g/mol.
Where can I buy 比沙可啶?
You can request a quote for 比沙可啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 比沙可啶?
Yes, KEHONG BIO provides custom synthesis services for 比沙可啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.