IFLab1_001729
TL;DR: IFLab1_001729 (CAS 306322-35-0) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: IFLab1_001729, 3-[(5E)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid, (E)-3-(5-(4-methylbenzylidene)-2,4-dioxothiazolidin-3-yl)propanoic acid, F0385-0155, 3-(5-(4-Methylbenzylidene)-2,4-dioxothiazolidin-3-yl)propanoic acid
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.50602 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 591.6964 |
Chemical Identifiers
| CAS Number | 306322-35-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCC(=O)O |
Product Overview
IFLab1_001729 (CAS 306322-35-0), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 3-[(5E)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of IFLab1_001729
Property Insights of IFLab1_001729
The XLogP value of 2.50602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001729. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001729. Following Lipinski's Rule of Five, IFLab1_001729 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_001729?
The CAS number of IFLab1_001729 is 306322-35-0.
What is the molecular formula of IFLab1_001729?
The molecular formula of IFLab1_001729 is C14H13NO4S.
What is the molecular weight of IFLab1_001729?
The molecular weight of IFLab1_001729 is 291.06 g/mol.
Where can I buy IFLab1_001729?
You can request a quote for IFLab1_001729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001729?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.