IFLab1_005867
TL;DR: IFLab1_005867 (CAS 514181-96-5) is a chemical compound with molecular formula C12H10F3N3O2S2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
Also Known As: IFLab1_005867, IDI1_011270, 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide, AP-906/41651014, F1412-0045
| Molecular Formula | C12H10F3N3O2S2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 2.5838 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.01666 |
| Heavy Atoms | 22 |
| Complexity | 634.28766 |
Chemical Identifiers
| CAS Number | 514181-96-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CC2C(=O)N=C(S2)N)SC(F)(F)F |
Product Overview
IFLab1_005867 (CAS 514181-96-5), with molecular formula C12H10F3N3O2S2 and molecular weight 349.02 g/mol. IUPAC: 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
Chemical Property Profile of IFLab1_005867
Property Insights of IFLab1_005867
The XLogP value of 2.5838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005867. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005867. Following Lipinski's Rule of Five, IFLab1_005867 has 2 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_005867?
The CAS number of IFLab1_005867 is 514181-96-5.
What is the molecular formula of IFLab1_005867?
The molecular formula of IFLab1_005867 is C12H10F3N3O2S2.
What is the molecular weight of IFLab1_005867?
The molecular weight of IFLab1_005867 is 349.02 g/mol.
Where can I buy IFLab1_005867?
You can request a quote for IFLab1_005867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005867?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.