IFLab1_006142
TL;DR: IFLab1_006142 (CAS 638137-83-4) is a chemical compound with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: IFLab1_006142, F1567-0094, 2-[(5E)-5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID, 2-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 2-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C17H17NO3S2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.6973 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.06497 |
| Heavy Atoms | 23 |
| Complexity | 695.04987 |
Chemical Identifiers
| CAS Number | 638137-83-4 |
|---|---|
| SMILES | CCC(C(=O)O)N1C(=O)/C(=C\C(=C\C2=CC=CC=C2)\C)/SC1=S |
Product Overview
IFLab1_006142 (CAS 638137-83-4), with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol. IUPAC: 2-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of IFLab1_006142
Property Insights of IFLab1_006142
The XLogP value of 3.6973 indicates that IFLab1_006142 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_006142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_006142 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_006142?
The CAS number of IFLab1_006142 is 638137-83-4.
What is the molecular formula of IFLab1_006142?
The molecular formula of IFLab1_006142 is C17H17NO3S2.
What is the molecular weight of IFLab1_006142?
The molecular weight of IFLab1_006142 is 347.06 g/mol.
Where can I buy IFLab1_006142?
You can request a quote for IFLab1_006142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006142?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.