![methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate structure](/static/products/6488/648860-01-9.webp)
methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
TL;DR: methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate (CAS 648860-01-9) is a chemical compound with molecular formula C19H10ClF6N3O4S and molecular weight 525.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
Also Known As: methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate, methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy, methyl 3-[2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate, Methyl 3-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamido)-4-(trifluoromethyl)phenoxy)thiophene-2-carboxylate, methyl 3-{2-[2-chloro-4-(trifluoromethyl)pyrimidine-5-amido]-4-(trifluoromethyl)phenoxy}thiophene-2-carboxylate
| Molecular Formula | C19H10ClF6N3O4S |
|---|---|
| Molecular Weight | 525.00 g/mol |
| LogP | 6.0603 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.9985 |
| Heavy Atoms | 34 |
| Complexity | 1245.5052 |
Chemical Identifiers
| CAS Number | 648860-01-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN=C(N=C3C(F)(F)F)Cl |
Product Overview
methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate (CAS 648860-01-9), with molecular formula C19H10ClF6N3O4S and molecular weight 525.00 g/mol. IUPAC: methyl 3-[2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
Property Insights of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
The XLogP value of 6.0603 indicates that methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The CAS number of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is 648860-01-9.
What is the molecular formula of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The molecular formula of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is C19H10ClF6N3O4S.
What is the molecular weight of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The molecular weight of methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is 525.00 g/mol.
Where can I buy methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
You can request a quote for methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.