IFLab1_001412
TL;DR: IFLab1_001412 (CAS 306323-57-9) is a chemical compound with molecular formula C15H15NO5S2 and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: IFLab1_001412, 2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, F0393-0114, (E)-2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 2-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}prop anoic acid
| Molecular Formula | C15H15NO5S2 |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 2.3781 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.03915 |
| Heavy Atoms | 23 |
| Complexity | 701.10767 |
Chemical Identifiers
| CAS Number | 306323-57-9 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)/C(=C\C2=CC(=C(C=C2)OC)OC)/SC1=S |
Product Overview
IFLab1_001412 (CAS 306323-57-9), with molecular formula C15H15NO5S2 and molecular weight 353.04 g/mol. IUPAC: 2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of IFLab1_001412
Property Insights of IFLab1_001412
The XLogP value of 2.3781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001412. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001412. Following Lipinski's Rule of Five, IFLab1_001412 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_001412?
The CAS number of IFLab1_001412 is 306323-57-9.
What is the molecular formula of IFLab1_001412?
The molecular formula of IFLab1_001412 is C15H15NO5S2.
What is the molecular weight of IFLab1_001412?
The molecular weight of IFLab1_001412 is 353.04 g/mol.
Where can I buy IFLab1_001412?
You can request a quote for IFLab1_001412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001412?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.