Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate
TL;DR: Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate (CAS 691394-00-0) is a chemical compound with molecular formula C13H12ClNO2S and molecular weight 281.02774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-5-(4-chlorophenyl)-4-methylthiophene-2-carboxylate
Also Known As: METHYL 3-AMINO-4-METHYL-5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE, methyl 3-amino-5-(4-chlorophenyl)-4-methylthiophene-2-carboxylate, 3-Amino-5-(4-chlorophenyl)-4-methylthiophene-2-carboxylic acid methyl ester, Methyl 3-amino-5-(4-chlorophenyl)-4-methyl-2-thiophenecarboxylate
Technical Specifications
| Molecular Formula | C13H12ClNO2S |
| Molecular Weight | 281.02774 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.02774 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | CC1=C(SC(=C1N)C(=O)OC)C2=CC=C(C=C2)Cl |
| InChIKey | JLSZQZGHRYUNDJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate
Property Insights of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate
The XLogP value of 4.3 indicates that Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-4-methyl-5-(4-chlorophenyl)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
What is the CAS number of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate is 691394-00-0.
What is the molecular formula of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate is C13H12ClNO2S.
What is the molecular weight of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate is 281.02774 g/mol.
Where can I buy Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-4-methyl-5-(4-chlorophenyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.