1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-
TL;DR: 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- (CAS 61862-73-5) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[ethoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
Also Known As: 1-Methyl-2-carboxy-3-(alpha-ethoxybenzyl)indole, 5-22-05-00343 (Beilstein Handbook Reference), 3-(Ethoxyphenylmethyl)-1-methyl-1H-indole-2-carboxylic acid, 1H-INDOLE-2-CARBOXYLIC ACID, 3-(ETHOXYPHENYLMETHYL)-1-METHYL-, 3-[ethoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 61862-73-5 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)C2=C(N(C3=CC=CC=C32)C)C(=O)O |
| InChIKey | FLDCPJIPCJSLPT-UHFFFAOYSA-N |
Product Overview
1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- (CAS 61862-73-5), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: 3-[ethoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-
Property Insights of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-
The XLogP value of 3.6 indicates that 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- 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 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-?
The CAS number of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- is 61862-73-5.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-?
The molecular formula of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- is C19H19NO3.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-?
The molecular weight of 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- is 309.14 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-?
You can request a quote for 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.