Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester
TL;DR: Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester (CAS 27462-95-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-methoxy-2-methyl-1-prop-2-enylindol-3-yl)acetate
Also Known As: 1-Allyl-5-methoxy-2-methyl-3-indoleacetic acid methyl ester, INDOLE-3-ACETIC ACID, 1-ALLYL-5-METHOXY-2-METHYL-, METHYL ESTER, methyl 2-(5-methoxy-2-methyl-1-prop-2-enylindol-3-yl)acetate, Estere metilico dell' acido 1-allil-2-metil-5-metossi-3-indolilacetico [Italian], Estere metilico dell' acido 1-allil-2-metil-5-metossi-3-indolilacetico
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 27462-95-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC=C)C=CC(=C2)OC)CC(=O)OC |
| InChIKey | YKGVRAIWWAVOBE-UHFFFAOYSA-N |
Product Overview
Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester (CAS 27462-95-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: methyl 2-(5-methoxy-2-methyl-1-prop-2-enylindol-3-yl)acetate.
Chemical Property Profile of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester
Property Insights of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester
The XLogP value of 3.2 indicates that Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester 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 Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester?
The CAS number of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester is 27462-95-9.
What is the molecular formula of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester?
The molecular formula of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester is C16H19NO3.
What is the molecular weight of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester?
The molecular weight of Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester is 273.14 g/mol.
Where can I buy Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester?
You can request a quote for Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.