1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester
TL;DR: 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester (CAS 57846-29-4) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methoxy-2-methyl-1-(2-oxo-2-propoxyethyl)indol-3-yl]acetic acid
Also Known As: 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester, 1-Ethyl 3-methyl 5-methoxy-2-methyl-1H-indole-1,3-diacetate, [5-Methoxy-2-methyl-1-(2-oxo-2-propoxyethyl)-1H-indol-3-yl]acetic acid, 2-[5-methoxy-2-methyl-1-(2-oxo-2-propoxyethyl)indol-3-yl]acetic acid, BRN 0446521
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.53862 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 732.14923 |
Chemical Identifiers
| CAS Number | 57846-29-4 |
|---|---|
| SMILES | CCCOC(=O)CN1C(=C(C2=C1C=CC(=C2)OC)CC(=O)O)C |
Product Overview
1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester (CAS 57846-29-4), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: 2-[5-methoxy-2-methyl-1-(2-oxo-2-propoxyethyl)indol-3-yl]acetic acid.
Chemical Property Profile of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester
Property Insights of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester
The XLogP value of 2.53862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester. Following Lipinski's Rule of Five, 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester has 1 hydrogen bond donor(s) and 4 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 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester?
The CAS number of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester is 57846-29-4.
What is the molecular formula of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester?
The molecular formula of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester is C17H21NO5.
What is the molecular weight of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester?
The molecular weight of 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester is 319.14 g/mol.
Where can I buy 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester?
You can request a quote for 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 1-ethyl 3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.