3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester
TL;DR: 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester (CAS 691394-01-1) is a chemical compound with molecular formula C13H12FNO2S and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylate
Also Known As: Not Available, 3-amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester, J2.880.225K, methyl 3-amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylate, METHYL 3-AMINO-4-METHYL-5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C13H12FNO2S |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 3.23142 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.05728 |
| Heavy Atoms | 18 |
| Complexity | 589.7839 |
Chemical Identifiers
| CAS Number | 691394-01-1 |
|---|---|
| SMILES | CC1=C(SC(=C1N)C(=O)OC)C2=CC=C(C=C2)F |
Product Overview
3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester (CAS 691394-01-1), with molecular formula C13H12FNO2S and molecular weight 265.06 g/mol. IUPAC: methyl 3-amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylate.
Chemical Property Profile of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester
Property Insights of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester
The XLogP value of 3.23142 indicates that 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester 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 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester?
The CAS number of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester is 691394-01-1.
What is the molecular formula of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester?
The molecular formula of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester is C13H12FNO2S.
What is the molecular weight of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester?
The molecular weight of 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester is 265.06 g/mol.
Where can I buy 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester?
You can request a quote for 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.