ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40963-98-2) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate
Also Known As: ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate, ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate, BAS 00297258, 1,2-dimethyl-3-carbethoxy-5-methoxyindole, ethyl 1,2-dimethyl-5-methoxyindole-3-carboxylate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 40963-98-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C |
| InChIKey | VWUZPMIHHYWEQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40963-98-2), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate. With a topological polar surface area (TPSA) of 40.5 Ų, ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate has 0 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 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate is 40963-98-2.
What is the molecular formula of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate is C14H17NO3.
What is the molecular weight of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate is 247.12 g/mol.
Where can I buy ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.