Thiazolinobutazone
TL;DR: Thiazolinobutazone (CAS 54749-86-9) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4,5-dihydro-1,3-thiazol-2-amine
Also Known As: Thiazolinobutazone, Fordonal, LAS 11871, HY-B0230A, Phenylbutazone salt with 2-amino-2-thiazoline
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.8357 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 54749-86-9 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C1CSC(=N1)N |
| InChIKey | IMKNHLPRDSWAHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiazolinobutazone (CAS 54749-86-9), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4,5-dihydro-1,3-thiazol-2-amine.
Chemical Property Profile of Thiazolinobutazone
Property Insights of Thiazolinobutazone
The XLogP value of 3.8357 indicates that Thiazolinobutazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolinobutazone. Following Lipinski's Rule of Five, Thiazolinobutazone 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 Thiazolinobutazone?
The CAS number of Thiazolinobutazone is 54749-86-9.
What is the molecular formula of Thiazolinobutazone?
The molecular formula of Thiazolinobutazone is C22H26N4O2S.
What is the molecular weight of Thiazolinobutazone?
The molecular weight of Thiazolinobutazone is 410.18 g/mol.
Where can I buy Thiazolinobutazone?
You can request a quote for Thiazolinobutazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazolinobutazone?
Yes, KEHONG BIO provides custom synthesis services for Thiazolinobutazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.