IFLab1_000657
TL;DR: IFLab1_000657 (CAS 170466-89-4) is a chemical compound with molecular formula C15H10F3NO3S and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
Also Known As: IFLab1_000657, IDI1_008876, J2.843.494D, 7-hydroxy-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-4H-chromen-4-one, 2-(Trifluoromethyl)-3-(4-methylthiazole-2-yl)-6-methyl-7-hydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C15H10F3NO3S |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 4.25774 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.03336 |
| Heavy Atoms | 23 |
| Complexity | 972.48315 |
Chemical Identifiers
| CAS Number | 170466-89-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1O)OC(=C(C2=O)C3=NC(=CS3)C)C(F)(F)F |
Product Overview
IFLab1_000657 (CAS 170466-89-4), with molecular formula C15H10F3NO3S and molecular weight 341.03 g/mol. IUPAC: 7-hydroxy-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of IFLab1_000657
Property Insights of IFLab1_000657
The XLogP value of 4.25774 indicates that IFLab1_000657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000657. Following Lipinski's Rule of Five, IFLab1_000657 has 1 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 IFLab1_000657?
The CAS number of IFLab1_000657 is 170466-89-4.
What is the molecular formula of IFLab1_000657?
The molecular formula of IFLab1_000657 is C15H10F3NO3S.
What is the molecular weight of IFLab1_000657?
The molecular weight of IFLab1_000657 is 341.03 g/mol.
Where can I buy IFLab1_000657?
You can request a quote for IFLab1_000657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000657?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.