IFLab1_000698
TL;DR: IFLab1_000698 (CAS 17385-93-2) is a chemical compound with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: IFLab1_000698, 4-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
| Molecular Formula | C14H12ClNO3S2 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 3.406 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.99472 |
| Heavy Atoms | 21 |
| Complexity | 613.1501 |
Chemical Identifiers
| CAS Number | 17385-93-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)Cl |
Product Overview
IFLab1_000698 (CAS 17385-93-2), with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol. IUPAC: 4-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of IFLab1_000698
Property Insights of IFLab1_000698
The XLogP value of 3.406 indicates that IFLab1_000698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, IFLab1_000698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_000698 has 1 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_000698?
The CAS number of IFLab1_000698 is 17385-93-2.
What is the molecular formula of IFLab1_000698?
The molecular formula of IFLab1_000698 is C14H12ClNO3S2.
What is the molecular weight of IFLab1_000698?
The molecular weight of IFLab1_000698 is 340.99 g/mol.
Where can I buy IFLab1_000698?
You can request a quote for IFLab1_000698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000698?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.