Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate
TL;DR: Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate (CAS 208944-55-2) is a chemical compound with molecular formula C16H19NO2S and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylate
Also Known As: Rizatriptan impurity C, Maybridge1_004014, Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate, 1-ISOBUTYLPIPERAZINE2HCL, BUTTPARK 82\18-71
| Molecular Formula | C16H19NO2S |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 3.9824 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.11365 |
| Heavy Atoms | 20 |
| Complexity | 599.43945 |
Chemical Identifiers
| CAS Number | 208944-55-2 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)N |
Product Overview
Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate (CAS 208944-55-2), with molecular formula C16H19NO2S and molecular weight 289.11 g/mol. IUPAC: methyl 3-amino-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate
Property Insights of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate
The XLogP value of 3.9824 indicates that Methyl 3-Amino-5-(4-Isobutylphenyl)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-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Amino-5-(4-Isobutylphenyl)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-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate?
The CAS number of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate is 208944-55-2.
What is the molecular formula of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate?
The molecular formula of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate is C16H19NO2S.
What is the molecular weight of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate?
The molecular weight of Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate is 289.11 g/mol.
Where can I buy Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate?
You can request a quote for Methyl 3-Amino-5-(4-Isobutylphenyl)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-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Amino-5-(4-Isobutylphenyl)Thiophene-2-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.