Isopropyl 2-aminothiophene-3-carboxylate
TL;DR: Isopropyl 2-aminothiophene-3-carboxylate (CAS 31891-52-8) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-aminothiophene-3-carboxylate
Also Known As: isopropyl 2-aminothiophene-3-carboxylate, propan-2-yl 2-aminothiophene-3-carboxylate, isopropyl2-aminothiophene-3-carboxylate, methylethyl 2-aminothiophene-3-carboxylate, 3,5-Dimethyl-1H-indole-2-carboxylic acid
| Molecular Formula | C8H11NO2S |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 1.8955 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.05106 |
| Heavy Atoms | 12 |
| Complexity | 280.34015 |
Chemical Identifiers
| CAS Number | 31891-52-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC=C1)N |
Product Overview
Isopropyl 2-aminothiophene-3-carboxylate (CAS 31891-52-8), with molecular formula C8H11NO2S and molecular weight 185.05 g/mol. IUPAC: propan-2-yl 2-aminothiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-aminothiophene-3-carboxylate
Property Insights of Isopropyl 2-aminothiophene-3-carboxylate
The XLogP value of 1.8955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-aminothiophene-3-carboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Isopropyl 2-aminothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-aminothiophene-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 Isopropyl 2-aminothiophene-3-carboxylate?
The CAS number of Isopropyl 2-aminothiophene-3-carboxylate is 31891-52-8.
What is the molecular formula of Isopropyl 2-aminothiophene-3-carboxylate?
The molecular formula of Isopropyl 2-aminothiophene-3-carboxylate is C8H11NO2S.
What is the molecular weight of Isopropyl 2-aminothiophene-3-carboxylate?
The molecular weight of Isopropyl 2-aminothiophene-3-carboxylate is 185.05 g/mol.
Where can I buy Isopropyl 2-aminothiophene-3-carboxylate?
You can request a quote for Isopropyl 2-aminothiophene-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-aminothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-aminothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.