2-bromo-1-(1H-indol-2-yl)ethanone
TL;DR: 2-bromo-1-(1H-indol-2-yl)ethanone (CAS 3470-72-2) is a chemical compound with molecular formula C10H8BrNO and molecular weight 236.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(1H-indol-2-yl)ethanone
Also Known As: 2-Bromacetylindol, 2-bromo-1-(1H-indol-2-yl)ethanone, 2-(bromoacetyl)indole, 1-(1H-indol-2-yl)-2-bromoethanone, 2-Bromo-1-(1H-indol-2-yl)ethan-1-one
| Molecular Formula | C10H8BrNO |
|---|---|
| Molecular Weight | 236.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.97893 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 3470-72-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)C(=O)CBr |
| InChIKey | AFBWFQXGVILQRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromo-1-(1H-indol-2-yl)ethanone (CAS 3470-72-2), with molecular formula C10H8BrNO and molecular weight 236.98 g/mol. IUPAC: 2-bromo-1-(1H-indol-2-yl)ethanone.
Chemical Property Profile of 2-bromo-1-(1H-indol-2-yl)ethanone
Property Insights of 2-bromo-1-(1H-indol-2-yl)ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-1-(1H-indol-2-yl)ethanone. With a topological polar surface area (TPSA) of 32.9 Ų, 2-bromo-1-(1H-indol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-1-(1H-indol-2-yl)ethanone has 1 hydrogen bond donor(s) and 1 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 2-bromo-1-(1H-indol-2-yl)ethanone?
The CAS number of 2-bromo-1-(1H-indol-2-yl)ethanone is 3470-72-2.
What is the molecular formula of 2-bromo-1-(1H-indol-2-yl)ethanone?
The molecular formula of 2-bromo-1-(1H-indol-2-yl)ethanone is C10H8BrNO.
What is the molecular weight of 2-bromo-1-(1H-indol-2-yl)ethanone?
The molecular weight of 2-bromo-1-(1H-indol-2-yl)ethanone is 236.98 g/mol.
Where can I buy 2-bromo-1-(1H-indol-2-yl)ethanone?
You can request a quote for 2-bromo-1-(1H-indol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-1-(1H-indol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-1-(1H-indol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.