5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester
TL;DR: 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester (CAS 1226-02-4) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
Also Known As: tert-butyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate, 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester, t-butyl (5-methoxy-2-methyl-indol-3-yl]-acetate, 5-Methoxy-2-methylindole-3-acetic acid, tert. butyl ester, tert-Butyl (5-methoxy-2-methyl-1H-indol-3-yl)acetate #
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 1226-02-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)OC(C)(C)C |
| InChIKey | NJASLAROWSIPFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester (CAS 1226-02-4), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: tert-butyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate.
Chemical Property Profile of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester
Property Insights of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester
The XLogP value of 3.2 indicates that 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester 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 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The CAS number of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester is 1226-02-4.
What is the molecular formula of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The molecular formula of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester is C16H21NO3.
What is the molecular weight of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The molecular weight of 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester is 275.15 g/mol.
Where can I buy 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester?
You can request a quote for 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-methylindole-3-acetic acid, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.