保泰松
TL;DR: 保泰松 (CAS 50-33-9) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
保泰松
4-butyl-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: phenylbutazone, Butapirazol, Butazolidin, Butadion, Flexazone
| Molecular Formula | C19H20N2O2 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.15247 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
| Melting Point | 219 to 107.2 °C |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| Refractive Index | INDICES OF REFRACTION: 1.600 (ALPHA), 1.620 (GAMMA) |
Chemical Identifiers
| CAS Number | 50-33-9 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | VYMDGNCVAMGZFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
保泰松 (CAS 50-33-9), with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol. IUPAC: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione.
Chemical Property Profile of 保泰松
Property Insights of 保泰松
The XLogP value of 3.2 indicates that 保泰松 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 保泰松 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 保泰松 has 0 hydrogen bond donor(s) and 2 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 保泰松?
The CAS number of 保泰松 is 50-33-9.
What is the molecular formula of 保泰松?
The molecular formula of 保泰松 is C19H20N2O2.
What is the molecular weight of 保泰松?
The molecular weight of 保泰松 is 308.15 g/mol.
Where can I buy 保泰松?
You can request a quote for 保泰松 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 保泰松?
Yes, KEHONG BIO provides custom synthesis services for 保泰松 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.