![methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate structure](/static/products/2592/259243-68-0.webp)
methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate
TL;DR: methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate (CAS 259243-68-0) is a chemical compound with molecular formula C14H10Cl2F3NO2S2 and molecular weight 414.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
Also Known As: methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate, methyl 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate, methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]acetate
| Molecular Formula | C14H10Cl2F3NO2S2 |
|---|---|
| Molecular Weight | 414.95 g/mol |
| LogP | 5.5419 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.9482 |
| Heavy Atoms | 24 |
| Complexity | 726.85614 |
Chemical Identifiers
| CAS Number | 259243-68-0 |
|---|---|
| SMILES | COC(=O)CSCC1=CSC(=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl |
Product Overview
methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate (CAS 259243-68-0), with molecular formula C14H10Cl2F3NO2S2 and molecular weight 414.95 g/mol. IUPAC: methyl 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate.
Chemical Property Profile of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate
Property Insights of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate
The XLogP value of 5.5419 indicates that methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate?
The CAS number of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate is 259243-68-0.
What is the molecular formula of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate?
The molecular formula of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate is C14H10Cl2F3NO2S2.
What is the molecular weight of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate?
The molecular weight of methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate is 414.95 g/mol.
Where can I buy methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate?
You can request a quote for methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.