Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester
TL;DR: Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester (CAS 57846-31-8) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[1-(2-ethoxy-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: INDOLE-1,3-DIACETIC ACID, 5-METHOXY-2-METHYL-, 3-tert-BUTYL 1-ETHYL ESTER, 5-Methoxy-2-methylindole-1,3-diacetic acid 3-tert-butyl 1-ethyl ester, tert-butyl ethyl 2,2'-(5-methoxy-2-methyl-1H-indole-1,3-diyl)diacetate, tert-butyl 2-[1-(2-ethoxy-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetate, BRN 0448118
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 57846-31-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C2=C1C=CC(=C2)OC)CC(=O)OC(C)(C)C)C |
| InChIKey | SLPRWHYDYQOSGZ-UHFFFAOYSA-N |
Product Overview
Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester (CAS 57846-31-8), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: tert-butyl 2-[1-(2-ethoxy-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester
Property Insights of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester
The XLogP value of 3.5 indicates that Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester. Following Lipinski's Rule of Five, Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester has 0 hydrogen bond donor(s) and 5 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 Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester?
The CAS number of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester is 57846-31-8.
What is the molecular formula of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester?
The molecular formula of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester is C20H27NO5.
What is the molecular weight of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester?
The molecular weight of Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester is 361.19 g/mol.
Where can I buy Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester?
You can request a quote for Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.