1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester (CAS 76410-18-9) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate
Also Known As: 2-Methyl-5-(oxiranylmethoxy)-1-phenyl-1H-indole-3-carboxylic acid ethyl ester, 1H-INDOLE-3-CARBOXYLIC ACID, 2-METHYL-5-(OXIRANYLMETHOXY)-1-PHENYL-, ETHYL ESTER, ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate, Ethyl 2-methyl-5-[(oxiran-2-yl)methoxy]-1-phenyl-1H-indole-3-carboxylate, 2-Methyl-5-oxiranylmethoxy-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 76410-18-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3CO3)C4=CC=CC=C4)C |
| InChIKey | BHHSMTHNBZAXQA-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester (CAS 76410-18-9), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester
The XLogP value of 3.9 indicates that 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester has 0 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-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester is 76410-18-9.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester is C21H21NO4.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester is 351.15 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl 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-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.