![{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid structure](/static/products/1164/1164509-03-8.webp)
{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
TL;DR: {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid (CAS 1164509-03-8) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
Also Known As: {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid, (Z)-2-(3-allyl-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)-4-oxothiazolidin-5-yl)acetic acid, [(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetic acid, 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
Technical Specifications
| Molecular Formula | C19H20N4O4S |
| Molecular Weight | 400.1205 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1205 Da |
| Heavy Atoms | 28 |
| Complexity | 757.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(S3)CC(=O)O)CC=C |
| InChIKey | LCNIBYBYPDBZTE-UHFFFAOYSA-N |
Chemical Property Profile of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Property Insights of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid. Following Lipinski's Rule of Five, {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid?
The CAS number of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid is 1164509-03-8.
What is the molecular formula of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid?
The molecular formula of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid is C19H20N4O4S.
What is the molecular weight of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid?
The molecular weight of {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid is 400.1205 g/mol.
Where can I buy {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid?
You can request a quote for {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid?
Yes, CoreyChem provides custom synthesis services for {3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.