Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
TL;DR: Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 256353-38-5) is a chemical compound with molecular formula C13H10F3NO2S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Also Known As: methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, Maybridge1_007879, BUTTPARK 36\08-12, 8503AD, Methyl 3-amino-4-phenyl-5-(trifluoromethyl)-thiophene-2-carboxylate
| Molecular Formula | C13H10F3NO2S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.8027 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.03842 |
| Heavy Atoms | 20 |
| Complexity | 635.0561 |
Chemical Identifiers
| CAS Number | 256353-38-5 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)N |
Product Overview
Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 256353-38-5), with molecular formula C13H10F3NO2S and molecular weight 301.04 g/mol. IUPAC: methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Property Insights of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
The XLogP value of 3.8027 indicates that Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate has 1 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 Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 256353-38-5.
What is the molecular formula of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is C13H10F3NO2S.
What is the molecular weight of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 301.04 g/mol.
Where can I buy Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4-phenyl-5-(trifluoromethyl)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-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.