1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester
TL;DR: 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester (CAS 143952-56-1) is a chemical compound with molecular formula C11H9Br2NO2 and molecular weight 344.9 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-bromo-2-(bromomethyl)indole-1-carboxylate
Also Known As: 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester, NCI60_018619, methyl 3-bromo-2-(bromomethyl)-1H-indole-1-carboxylate, J2.077.660I, methyl 3-bromo-2-(bromomethyl)indole-1-carboxylate
Technical Specifications
| Molecular Formula | C11H9Br2NO2 |
| Molecular Weight | 344.9 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.9 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | COC(=O)N1C2=CC=CC=C2C(=C1CBr)Br |
| InChIKey | PWHZKTGUSVYGTC-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester
Property Insights of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester
The XLogP value of 3.6 indicates that 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester?
The CAS number of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester is 143952-56-1.
What is the molecular formula of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester?
The molecular formula of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester is C11H9Br2NO2.
What is the molecular weight of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester?
The molecular weight of 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester is 344.9 g/mol.
Where can I buy 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester?
You can request a quote for 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.