Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate (CAS 3338-93-0) is a chemical compound with molecular formula C17H21NO2S and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate, 5-Methyl-benzo[1,2,5]thiadiazol-4-ylamine, methyl 2-amino-4-(4-butylphenyl)-5-methyl-3-thiophenecarboxylate, methyl 2-amino-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate, methyl2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C17H21NO2S |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 4.43492 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1293 |
| Heavy Atoms | 21 |
| Complexity | 628.9848 |
Chemical Identifiers
| CAS Number | 3338-93-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)N)C |
Product Overview
Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate (CAS 3338-93-0), with molecular formula C17H21NO2S and molecular weight 303.13 g/mol. IUPAC: methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 4.43492 indicates that Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-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 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-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 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate is 3338-93-0.
What is the molecular formula of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate is C17H21NO2S.
What is the molecular weight of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate is 303.13 g/mol.
Where can I buy Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate 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-butylphenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.