Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate
TL;DR: Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate (CAS 56545-52-9) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamido-5-methyl-1H-indole-2-carboxylate
Also Known As: ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate, ethyl 3-acetamido-5-methyl-1H-indole-2-carboxylate, 2-carbethoxy-3-acetamido-5-methylindole, BAS 00416347, AB01303293-01
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.61142 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 643.42365 |
Chemical Identifiers
| CAS Number | 56545-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)NC(=O)C |
Product Overview
Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate (CAS 56545-52-9), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: ethyl 3-acetamido-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate
Property Insights of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate
The XLogP value of 2.61142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 3 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-(acetylamino)-5-methyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate is 56545-52-9.
What is the molecular formula of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate is C14H16N2O3.
What is the molecular weight of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate is 260.12 g/mol.
Where can I buy Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 3-(acetylamino)-5-methyl-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-(acetylamino)-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(acetylamino)-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.