![Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate structure](/static/products/910/91041-20-2.png)
Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
TL;DR: Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate (CAS 91041-20-2) is a chemical compound with molecular formula C13H8F3NO5S and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
Also Known As: Copperphenylacetylide, methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate, Maybridge1_003794, methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]-2-thiophenecarboxylate, 10H-344S
| Molecular Formula | C13H8F3NO5S |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 4.254 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.00754 |
| Heavy Atoms | 23 |
| Complexity | 756.30853 |
Chemical Identifiers
| CAS Number | 91041-20-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate (CAS 91041-20-2), with molecular formula C13H8F3NO5S and molecular weight 347.01 g/mol. IUPAC: methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
Property Insights of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
The XLogP value of 4.254 indicates that Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 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 Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The CAS number of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is 91041-20-2.
What is the molecular formula of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The molecular formula of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is C13H8F3NO5S.
What is the molecular weight of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
The molecular weight of Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate is 347.01 g/mol.
Where can I buy Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
You can request a quote for Methyl 3-[2-nitro-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-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.