![3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid structure](/static/products/3029/302949-55-9.webp)
3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
TL;DR: 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid (CAS 302949-55-9) is a chemical compound with molecular formula C20H17NO4S2 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 01539371, BIM-0001026.P001, 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid, (Z)-3-(5-(3-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-{(5Z)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C20H17NO4S2 |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 3.9415 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.0599 |
| Heavy Atoms | 27 |
| Complexity | 895.86456 |
Chemical Identifiers
| CAS Number | 302949-55-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O |
Product Overview
3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid (CAS 302949-55-9), with molecular formula C20H17NO4S2 and molecular weight 399.06 g/mol. IUPAC: 3-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
Property Insights of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
The XLogP value of 3.9415 indicates that 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid. Following Lipinski's Rule of Five, 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid has 1 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 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The CAS number of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is 302949-55-9.
What is the molecular formula of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The molecular formula of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is C20H17NO4S2.
What is the molecular weight of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The molecular weight of 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is 399.06 g/mol.
Where can I buy 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
You can request a quote for 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.