曲格列酮
TL;DR: 曲格列酮 (CAS 97322-87-7) is a chemical compound with molecular formula C24H27NO5S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲格列酮
5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Also Known As: troglitazone, Rezulin, Romglizone, Prelay, Romozin
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
| Melting Point | 184-186 °C |
Chemical Identifiers
| CAS Number | 97322-87-7 |
|---|---|
| SMILES | CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C |
| InChIKey | GXPHKUHSUJUWKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲格列酮 (CAS 97322-87-7), with molecular formula C24H27NO5S and molecular weight 441.16 g/mol. IUPAC: 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 曲格列酮
Property Insights of 曲格列酮
The XLogP value of 5.1 indicates that 曲格列酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 曲格列酮. Following Lipinski's Rule of Five, 曲格列酮 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 曲格列酮?
The CAS number of 曲格列酮 is 97322-87-7.
What is the molecular formula of 曲格列酮?
The molecular formula of 曲格列酮 is C24H27NO5S.
What is the molecular weight of 曲格列酮?
The molecular weight of 曲格列酮 is 441.16 g/mol.
Where can I buy 曲格列酮?
You can request a quote for 曲格列酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲格列酮?
Yes, KEHONG BIO provides custom synthesis services for 曲格列酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.