IFLab1_001553
TL;DR: IFLab1_001553 (CAS 305376-82-3) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoic acid
Also Known As: IFLab1_001553, BAS 02068093, (Z)-3-methyl-2-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)butanoic acid, 3-methyl-2-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid, 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoic acid
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 1.62519 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 1033.0774 |
Chemical Identifiers
| CAS Number | 305376-82-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O |
Product Overview
IFLab1_001553 (CAS 305376-82-3), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of IFLab1_001553
Property Insights of IFLab1_001553
The XLogP value of 1.62519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001553. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001553. Following Lipinski's Rule of Five, IFLab1_001553 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_001553?
The CAS number of IFLab1_001553 is 305376-82-3.
What is the molecular formula of IFLab1_001553?
The molecular formula of IFLab1_001553 is C16H14N2O4S2.
What is the molecular weight of IFLab1_001553?
The molecular weight of IFLab1_001553 is 362.04 g/mol.
Where can I buy IFLab1_001553?
You can request a quote for IFLab1_001553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001553?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.