Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 889357-64-6) is a chemical compound with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate, 1165AE, 3-Isopropoxy-benzoic acid methyl ester, methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate, BIM-0046743.P001
| Molecular Formula | C13H12ClNO2S |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 3.74572 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.02774 |
| Heavy Atoms | 18 |
| Complexity | 589.7839 |
Chemical Identifiers
| CAS Number | 889357-64-6 |
|---|---|
| SMILES | CC1=C(C(=C(S1)N)C(=O)OC)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 889357-64-6), with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol. IUPAC: methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 3.74572 indicates that Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate 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 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate 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 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate is 889357-64-6.
What is the molecular formula of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate is C13H12ClNO2S.
What is the molecular weight of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate is 281.03 g/mol.
Where can I buy Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.