IFLab1_000088
TL;DR: IFLab1_000088 (CAS 306279-32-3) is a chemical compound with molecular formula C17H12ClNO4S2 and molecular weight 392.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: IFLab1_000088, 5-[[5-(2-Chlorophenyl)-2-furanyl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid, 3-(5-{[5-(2-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid, 3-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C17H12ClNO4S2 |
|---|---|
| Molecular Weight | 392.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.98962 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 306279-32-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl |
| InChIKey | GOTSHXUIWCSXBV-UHFFFAOYSA-N |
Product Overview
IFLab1_000088 (CAS 306279-32-3), with molecular formula C17H12ClNO4S2 and molecular weight 392.99 g/mol. IUPAC: 3-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of IFLab1_000088
Property Insights of IFLab1_000088
The XLogP value of 3.9 indicates that IFLab1_000088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000088. Following Lipinski's Rule of Five, IFLab1_000088 has 1 hydrogen bond donor(s) and 6 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_000088?
The CAS number of IFLab1_000088 is 306279-32-3.
What is the molecular formula of IFLab1_000088?
The molecular formula of IFLab1_000088 is C17H12ClNO4S2.
What is the molecular weight of IFLab1_000088?
The molecular weight of IFLab1_000088 is 392.99 g/mol.
Where can I buy IFLab1_000088?
You can request a quote for IFLab1_000088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000088?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.