Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate
TL;DR: Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate (CAS 306969-27-7) is a chemical compound with molecular formula C22H28N2O7S and molecular weight 464.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)acetyl]amino]thiophene-3-carboxylate;oxalic acid
Also Known As: ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate, ethyl 4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid, ethyl 4-(4-methylphenyl)-2-{2-[(2-methylpropyl)amino]acetylamino}thiophene-3-c arboxylate, ethanedioic acid
| Molecular Formula | C22H28N2O7S |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 3.23992 |
| Topological Polar Surface Area | 142.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.1617 |
| Heavy Atoms | 32 |
| Complexity | 924.25604 |
Chemical Identifiers
| CAS Number | 306969-27-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCC(C)C.C(=O)(C(=O)O)O |
Product Overview
Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate (CAS 306969-27-7), with molecular formula C22H28N2O7S and molecular weight 464.16 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)acetyl]amino]thiophene-3-carboxylate;oxalic acid.
Chemical Property Profile of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate
Property Insights of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate
The XLogP value of 3.23992 indicates that Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.03 Ų indicates high polarity, suggesting Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate has 4 hydrogen bond donor(s) and 7 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 Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate?
The CAS number of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate is 306969-27-7.
What is the molecular formula of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate?
The molecular formula of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate is C22H28N2O7S.
What is the molecular weight of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate?
The molecular weight of Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate is 464.16 g/mol.
Where can I buy Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate?
You can request a quote for Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(isobutylamino)acetamido)-4-(p-tolyl)thiophene-3-carboxylate oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.