4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo
TL;DR: 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo (CAS 106123-53-9) is a chemical compound with molecular formula C14H11Cl2FN2O and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
Also Known As: 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo, 1H-Pyrazole, 4-chloro-1-(4-chloro-2-fluoro-5-(2-propynyloxy)phenyl)-3,5-dimethyl-, 4-chloro-1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole, 1H-Pyrazole,4-chloro-1-[4-chloro-2-fluoro-5-(2-propyn-1-yloxy)phenyl]-3,5-dimethyl-, 4-chloro-1-[4-chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl]-3,5-dimethyl-1h-pyrazole
| Molecular Formula | C14H11Cl2FN2O |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.02325 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 106123-53-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OCC#C)C)Cl |
| InChIKey | NVKXRUWRVFWECO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo (CAS 106123-53-9), with molecular formula C14H11Cl2FN2O and molecular weight 312.02 g/mol. IUPAC: 4-chloro-1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole.
Chemical Property Profile of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo
Property Insights of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo
The XLogP value of 4.1 indicates that 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo has 0 hydrogen bond donor(s) and 3 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 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo?
The CAS number of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo is 106123-53-9.
What is the molecular formula of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo?
The molecular formula of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo is C14H11Cl2FN2O.
What is the molecular weight of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo?
The molecular weight of 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo is 312.02 g/mol.
Where can I buy 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo?
You can request a quote for 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolepropanoic acid,2,3-dihydro-2-thioxo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.