1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole
TL;DR: 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole (CAS 61862-72-4) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[methoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
Also Known As: 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole, 5-22-05-00343 (Beilstein Handbook Reference), 3-(Methoxyphenylmethyl)-1-methyl-1H-indole-2-carboxylic acid, 1H-INDOLE-2-CARBOXYLIC ACID, 3-(METHOXYPHENYLMETHYL)-1-METHYL-, 3-[methoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 61862-72-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3)OC |
| InChIKey | QNRPKBYUEZGECQ-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole (CAS 61862-72-4), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 3-[methoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid.
Chemical Property Profile of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole
Property Insights of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole
The XLogP value of 3.2 indicates that 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole 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 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole?
The CAS number of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole is 61862-72-4.
What is the molecular formula of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole?
The molecular formula of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole is C18H17NO3.
What is the molecular weight of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole?
The molecular weight of 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole is 295.12 g/mol.
Where can I buy 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole?
You can request a quote for 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.