5-溴吲哚-3-甲醛
TL;DR: 5-溴吲哚-3-甲醛 (CAS 877-03-2) 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.
5-溴吲哚-3-甲醛
5-bromo-1H-indole-3-carbaldehyde
Also Known As: 5-Bromoindole-3-carboxaldehyde, 5-Bromo-1H-indole-3-carbaldehyde, null, 5-bromo-3-formylindole, 5-Bromoindole-3-carbaldehyde
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 2.4 |
| 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 | 877-03-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)C=O |
| InChIKey | PEENKJZANBYXNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴吲哚-3-甲醛 (CAS 877-03-2), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 5-bromo-1H-indole-3-carbaldehyde.
Chemical Property Profile of 5-溴吲哚-3-甲醛
Property Insights of 5-溴吲哚-3-甲醛
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴吲哚-3-甲醛. With a topological polar surface area (TPSA) of 32.9 Ų, 5-溴吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴吲哚-3-甲醛 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 5-溴吲哚-3-甲醛?
The CAS number of 5-溴吲哚-3-甲醛 is 877-03-2.
What is the molecular formula of 5-溴吲哚-3-甲醛?
The molecular formula of 5-溴吲哚-3-甲醛 is C9H6BrNO.
What is the molecular weight of 5-溴吲哚-3-甲醛?
The molecular weight of 5-溴吲哚-3-甲醛 is 222.96 g/mol.
Where can I buy 5-溴吲哚-3-甲醛?
You can request a quote for 5-溴吲哚-3-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-溴吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.