1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate
TL;DR: 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate (CAS 338981-70-7) is a chemical compound with molecular formula C12H8F3NO2S and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazol-5-ylmethyl 4-(trifluoromethyl)benzoate
Also Known As: 1,3-thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate, (1,3-thiazol-5-yl)methyl 4-(trifluoromethyl)benzoate, 1,3-thiazol-5-ylmethyl 4-(trifluoromethyl)benzoate, 9N-747, thiazol-5-ylmethyl 4-(trifluoromethyl)benzoate
| Molecular Formula | C12H8F3NO2S |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.5189 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0228 |
| Heavy Atoms | 19 |
| Complexity | 549.3535 |
Chemical Identifiers
| CAS Number | 338981-70-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=CN=CS2)C(F)(F)F |
Product Overview
1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate (CAS 338981-70-7), with molecular formula C12H8F3NO2S and molecular weight 287.02 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate
Property Insights of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate
The XLogP value of 3.5189 indicates that 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate has 0 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 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate?
The CAS number of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate is 338981-70-7.
What is the molecular formula of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate is C12H8F3NO2S.
What is the molecular weight of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate is 287.02 g/mol.
Where can I buy 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Thiazol-5-ylmethyl 4-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.