methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
TL;DR: methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate (CAS 7588-36-5) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
Also Known As: methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate, Methyl 5-Methoxy-2-methylindole-3-acetate, Methyl 5-methoxy-2-methyl-1H-indole-3-acetate, 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester, Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 7588-36-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)OC |
| InChIKey | JYUNCKSXPPDNRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate (CAS 7588-36-5), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate.
Chemical Property Profile of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
Property Insights of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate. With a topological polar surface area (TPSA) of 51.3 Ų, methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate has 1 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 methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The CAS number of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate is 7588-36-5.
What is the molecular formula of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The molecular formula of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate is C13H15NO3.
What is the molecular weight of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The molecular weight of methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate is 233.11 g/mol.
Where can I buy methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate?
You can request a quote for methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.