IFLab1_001548
TL;DR: IFLab1_001548 (CAS 392252-41-4) is a chemical compound with molecular formula C16H15NO5S2 and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Also Known As: IFLab1_001548, 2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, F0393-0638, (Z)-2-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid, 2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
| Molecular Formula | C16H15NO5S2 |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 2.51422 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.03915 |
| Heavy Atoms | 24 |
| Complexity | 726.4882 |
Chemical Identifiers
| CAS Number | 392252-41-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O |
Product Overview
IFLab1_001548 (CAS 392252-41-4), with molecular formula C16H15NO5S2 and molecular weight 365.04 g/mol. IUPAC: 2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid.
Chemical Property Profile of IFLab1_001548
Property Insights of IFLab1_001548
The XLogP value of 2.51422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001548. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001548. Following Lipinski's Rule of Five, IFLab1_001548 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_001548?
The CAS number of IFLab1_001548 is 392252-41-4.
What is the molecular formula of IFLab1_001548?
The molecular formula of IFLab1_001548 is C16H15NO5S2.
What is the molecular weight of IFLab1_001548?
The molecular weight of IFLab1_001548 is 365.04 g/mol.
Where can I buy IFLab1_001548?
You can request a quote for IFLab1_001548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001548?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.