(2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate
TL;DR: (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate (CAS 461431-67-4) is a chemical compound with molecular formula C18H14BrNO3 and molecular weight 371.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-methylindol-3-yl) 4-bromobenzoate
Also Known As: (2-acetyl-1-methylindol-3-yl) 4-bromobenzoate, 2-acetyl-1-methyl-1H-indol-3-yl 4-bromobenzoate
| Molecular Formula | C18H14BrNO3 |
|---|---|
| Molecular Weight | 371.02 g/mol |
| LogP | 4.3626 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.01572 |
| Heavy Atoms | 23 |
| Complexity | 909.91144 |
Chemical Identifiers
| CAS Number | 461431-67-4 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2N1C)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
(2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate (CAS 461431-67-4), with molecular formula C18H14BrNO3 and molecular weight 371.02 g/mol. IUPAC: (2-acetyl-1-methylindol-3-yl) 4-bromobenzoate.
Chemical Property Profile of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate
Property Insights of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate
The XLogP value of 4.3626 indicates that (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate 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 (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate?
The CAS number of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate is 461431-67-4.
What is the molecular formula of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate?
The molecular formula of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate is C18H14BrNO3.
What is the molecular weight of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate?
The molecular weight of (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate is 371.02 g/mol.
Where can I buy (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate?
You can request a quote for (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyl-1-methylindol-3-yl) 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.