3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
TL;DR: 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS 477864-72-5) is a chemical compound with molecular formula C11H7F3N2O2S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 4-methylthiadiazole-5-carboxylate
Also Known As: 3-(trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate, 1K-339S, [3-(trifluoromethyl)phenyl] 4-methylthiadiazole-5-carboxylate, 3-(trifluoromethyl)phenyl4-methyl-1,2,3-thiadiazole-5-carboxylate
| Molecular Formula | C11H7F3N2O2S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 3.08452 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.01804 |
| Heavy Atoms | 19 |
| Complexity | 609.9829 |
Chemical Identifiers
| CAS Number | 477864-72-5 |
|---|---|
| SMILES | CC1=C(SN=N1)C(=O)OC2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS 477864-72-5), with molecular formula C11H7F3N2O2S and molecular weight 288.02 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 4-methylthiadiazole-5-carboxylate.
Chemical Property Profile of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
Property Insights of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
The XLogP value of 3.08452 indicates that 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate has 0 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-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate?
The CAS number of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate is 477864-72-5.
What is the molecular formula of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate?
The molecular formula of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate is C11H7F3N2O2S.
What is the molecular weight of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate?
The molecular weight of 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate is 288.02 g/mol.
Where can I buy 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate?
You can request a quote for 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.