ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
TL;DR: ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 27398-85-2) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
Also Known As: ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, Ethyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate, ethyl 3-methyl-4-oxo-6-(2-thienyl)-5,6,7-trihydroindole-2-carboxylate
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 3.47402 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 684.69556 |
Chemical Identifiers
| CAS Number | 27398-85-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C |
Product Overview
ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 27398-85-2), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: ethyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.
Chemical Property Profile of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Property Insights of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
The XLogP value of 3.47402 indicates that ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-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 ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 27398-85-2.
What is the molecular formula of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is C16H17NO3S.
What is the molecular weight of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 303.09 g/mol.
Where can I buy ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.