IFLab1_005422
TL;DR: IFLab1_005422 (CAS 458527-35-0) is a chemical compound with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 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-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: IFLab1_005422, IDI1_010825, AS-871/41219760, F1312-0032, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
| Molecular Formula | C12H9ClF3N3O2S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 2.6441 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0056 |
| Heavy Atoms | 22 |
| Complexity | 663.50684 |
Chemical Identifiers
| CAS Number | 458527-35-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CC2C(=O)N=C(S2)N)C(F)(F)F)Cl |
Product Overview
IFLab1_005422 (CAS 458527-35-0), with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol. IUPAC: 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of IFLab1_005422
Property Insights of IFLab1_005422
The XLogP value of 2.6441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005422. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005422. Following Lipinski's Rule of Five, IFLab1_005422 has 2 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_005422?
The CAS number of IFLab1_005422 is 458527-35-0.
What is the molecular formula of IFLab1_005422?
The molecular formula of IFLab1_005422 is C12H9ClF3N3O2S.
What is the molecular weight of IFLab1_005422?
The molecular weight of IFLab1_005422 is 351.01 g/mol.
Where can I buy IFLab1_005422?
You can request a quote for IFLab1_005422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005422?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.