1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester
TL;DR: 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester (CAS 295778-39-1) is a chemical compound with molecular formula C16H12BrNO2 and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-bromoindole-1-carboxylate
Also Known As: Benzyl 5-bromo-1H-indole-1-carboxylate, Benzyl 5-bromoindole-1-carboxylate, 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester, J1.905.694E, 5-Bromo-1H-indole-1-carboxylic acid benzyl ester
| Molecular Formula | C16H12BrNO2 |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 4.5887 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.00513 |
| Heavy Atoms | 20 |
| Complexity | 749.5177 |
Chemical Identifiers
| CAS Number | 295778-39-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N2C=CC3=C2C=CC(=C3)Br |
Product Overview
1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester (CAS 295778-39-1), with molecular formula C16H12BrNO2 and molecular weight 329.01 g/mol. IUPAC: benzyl 5-bromoindole-1-carboxylate.
Chemical Property Profile of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester
Property Insights of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester
The XLogP value of 4.5887 indicates that 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl 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
Frequently Asked Questions
What is the CAS number of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester?
The CAS number of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester is 295778-39-1.
What is the molecular formula of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester?
The molecular formula of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester is C16H12BrNO2.
What is the molecular weight of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester?
The molecular weight of 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester is 329.01 g/mol.
Where can I buy 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester?
You can request a quote for 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl 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-1-carboxylic acid, 5-bromo-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-1-carboxylic acid, 5-bromo-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.