N-Acetyl-5-Bromo-3-Hydroxyindole
TL;DR: N-Acetyl-5-Bromo-3-Hydroxyindole (CAS 114165-30-9) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-3-hydroxyindol-1-yl)ethanone
Also Known As: N-Acetyl-5-Bromo-3-Hydroxyindole, 1-acetyl-5-bromo-3-hydroxyindole, 1-Acetyl-5-bromo-3-hydroxy-1H-indole, 1-(5-bromo-3-hydroxyindol-1-yl)ethanone, 1-(5-bromo-3-hydroxy-1H-indol-1-yl)ethanone
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.7695 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 516.0615 |
Chemical Identifiers
| CAS Number | 114165-30-9 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O |
Product Overview
N-Acetyl-5-Bromo-3-Hydroxyindole (CAS 114165-30-9), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 1-(5-bromo-3-hydroxyindol-1-yl)ethanone.
Chemical Property Profile of N-Acetyl-5-Bromo-3-Hydroxyindole
Property Insights of N-Acetyl-5-Bromo-3-Hydroxyindole
The XLogP value of 2.7695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-5-Bromo-3-Hydroxyindole. With a topological polar surface area (TPSA) of 42.23 Ų, N-Acetyl-5-Bromo-3-Hydroxyindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetyl-5-Bromo-3-Hydroxyindole has 1 hydrogen bond donor(s) and 2 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 N-Acetyl-5-Bromo-3-Hydroxyindole?
The CAS number of N-Acetyl-5-Bromo-3-Hydroxyindole is 114165-30-9.
What is the molecular formula of N-Acetyl-5-Bromo-3-Hydroxyindole?
The molecular formula of N-Acetyl-5-Bromo-3-Hydroxyindole is C10H8BrNO2.
What is the molecular weight of N-Acetyl-5-Bromo-3-Hydroxyindole?
The molecular weight of N-Acetyl-5-Bromo-3-Hydroxyindole is 252.97 g/mol.
Where can I buy N-Acetyl-5-Bromo-3-Hydroxyindole?
You can request a quote for N-Acetyl-5-Bromo-3-Hydroxyindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-5-Bromo-3-Hydroxyindole?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-5-Bromo-3-Hydroxyindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.