2-Bromo-1H-indole-3-carboxaldehyde
TL;DR: 2-Bromo-1H-indole-3-carboxaldehyde (CAS 119910-45-1) is a chemical compound with molecular formula C9H6BrNO and molecular weight 222.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1H-indole-3-carbaldehyde
Also Known As: 2-bromo-1H-indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 2-bromo-, 2-bromo-1h-indole-3-carboxaldehyde, 2-bromo-3-formylindol, 2-Bromo-3-formylindole
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 119910-45-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)Br)C=O |
| InChIKey | WIRLVLFYTTULCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1H-indole-3-carboxaldehyde (CAS 119910-45-1), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 2-bromo-1H-indole-3-carbaldehyde.
Chemical Property Profile of 2-Bromo-1H-indole-3-carboxaldehyde
Property Insights of 2-Bromo-1H-indole-3-carboxaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1H-indole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 2-Bromo-1H-indole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1H-indole-3-carboxaldehyde 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-1H-indole-3-carboxaldehyde?
The CAS number of 2-Bromo-1H-indole-3-carboxaldehyde is 119910-45-1.
What is the molecular formula of 2-Bromo-1H-indole-3-carboxaldehyde?
The molecular formula of 2-Bromo-1H-indole-3-carboxaldehyde is C9H6BrNO.
What is the molecular weight of 2-Bromo-1H-indole-3-carboxaldehyde?
The molecular weight of 2-Bromo-1H-indole-3-carboxaldehyde is 222.96 g/mol.
Where can I buy 2-Bromo-1H-indole-3-carboxaldehyde?
You can request a quote for 2-Bromo-1H-indole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1H-indole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1H-indole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.