Ethyl 5-bromo-3-formyl-1H-indole-1-acetate
TL;DR: Ethyl 5-bromo-3-formyl-1H-indole-1-acetate (CAS 640264-39-7) is a chemical compound with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-bromo-3-formylindol-1-yl)acetate
Also Known As: ethyl 2-(5-bromo-3-formylindol-1-yl)acetate, Ethyl 5-bromo-3-formyl-1H-indole-1-acetate, Ethyl 2-(5-bromo-3-formyl-indol-1-yl)acetate
| Molecular Formula | C13H12BrNO3 |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 2.7794 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.00006 |
| Heavy Atoms | 18 |
| Complexity | 603.5473 |
Chemical Identifiers
| CAS Number | 640264-39-7 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=C1C=CC(=C2)Br)C=O |
Product Overview
Ethyl 5-bromo-3-formyl-1H-indole-1-acetate (CAS 640264-39-7), with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol. IUPAC: ethyl 2-(5-bromo-3-formylindol-1-yl)acetate.
Chemical Property Profile of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate
Property Insights of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate
The XLogP value of 2.7794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-bromo-3-formyl-1H-indole-1-acetate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl 5-bromo-3-formyl-1H-indole-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-bromo-3-formyl-1H-indole-1-acetate has 0 hydrogen bond donor(s) and 3 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 Ethyl 5-bromo-3-formyl-1H-indole-1-acetate?
The CAS number of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate is 640264-39-7.
What is the molecular formula of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate?
The molecular formula of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate is C13H12BrNO3.
What is the molecular weight of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate?
The molecular weight of Ethyl 5-bromo-3-formyl-1H-indole-1-acetate is 309.00 g/mol.
Where can I buy Ethyl 5-bromo-3-formyl-1H-indole-1-acetate?
You can request a quote for Ethyl 5-bromo-3-formyl-1H-indole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-bromo-3-formyl-1H-indole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-bromo-3-formyl-1H-indole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.