IFLab1_005166
TL;DR: IFLab1_005166 (CAS 431982-93-3) is a chemical compound with molecular formula C17H13F3N2O3S and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: IFLab1_005166, BAS 04357833, UPCMLD0ENAT5234888:001, AB00293594-02, N-(4-hydroxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
| Molecular Formula | C17H13F3N2O3S |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 3.8526 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0599 |
| Heavy Atoms | 26 |
| Complexity | 853.3219 |
Chemical Identifiers
| CAS Number | 431982-93-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)O |
Product Overview
IFLab1_005166 (CAS 431982-93-3), with molecular formula C17H13F3N2O3S and molecular weight 382.06 g/mol. IUPAC: N-(4-hydroxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of IFLab1_005166
Property Insights of IFLab1_005166
The XLogP value of 3.8526 indicates that IFLab1_005166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005166. Following Lipinski's Rule of Five, IFLab1_005166 has 3 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 IFLab1_005166?
The CAS number of IFLab1_005166 is 431982-93-3.
What is the molecular formula of IFLab1_005166?
The molecular formula of IFLab1_005166 is C17H13F3N2O3S.
What is the molecular weight of IFLab1_005166?
The molecular weight of IFLab1_005166 is 382.06 g/mol.
Where can I buy IFLab1_005166?
You can request a quote for IFLab1_005166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005166?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.