Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate
TL;DR: Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate (CAS 103260-65-7) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate, propan-2-yl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, 4-Methoxy-1H-indole-2-carboxylic acid, isopropyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, isopropyl2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 3.45622 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 692.9165 |
Chemical Identifiers
| CAS Number | 103260-65-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)N)C(=O)NC2=CC=CC=C2 |
Product Overview
Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate (CAS 103260-65-7), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: propan-2-yl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate
Property Insights of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate
The XLogP value of 3.45622 indicates that Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate?
The CAS number of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate is 103260-65-7.
What is the molecular formula of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate?
The molecular formula of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate is C16H18N2O3S.
What is the molecular weight of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate?
The molecular weight of Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate is 318.10 g/mol.
Where can I buy Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate?
You can request a quote for Isopropyl 2-amino-5-(anilinocarbonyl)-4-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 Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-amino-5-(anilinocarbonyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.