![5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione structure](/static/products/956/956261-79-3.png)
5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione
TL;DR: 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione (CAS 956261-79-3) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione, 5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-2,4-dione, 5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazolidine-2,4-dione, 5-[(4-pyrazol-1-ylphenyl)methyl]thiazolidine-2,4-dione
| Molecular Formula | C13H11N3O2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.7664 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0572 |
| Heavy Atoms | 19 |
| Complexity | 607.32837 |
Chemical Identifiers
| CAS Number | 956261-79-3 |
|---|---|
| SMILES | C1=CN(N=C1)C2=CC=C(C=C2)CC3C(=O)NC(=O)S3 |
Product Overview
5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione (CAS 956261-79-3), with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol. IUPAC: 5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione
Property Insights of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione
The XLogP value of 1.7664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione 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 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione?
The CAS number of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione is 956261-79-3.
What is the molecular formula of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione?
The molecular formula of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione is C13H11N3O2S.
What is the molecular weight of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione?
The molecular weight of 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione is 273.06 g/mol.
Where can I buy 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione?
You can request a quote for 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazolane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.