1H-Indol-3-ol, 5-bromo-, 3-acetate
TL;DR: 1H-Indol-3-ol, 5-bromo-, 3-acetate (CAS 17357-14-1) 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.
(5-bromo-1H-indol-3-yl) acetate
Also Known As: 3-Acetoxy-5-bromoindole, 5-Bromoindoxyl acetate, 5-Bromo-1H-indol-3-yl acetate, 3-Acetoxy-5-bromo-1H-indole, (5-bromo-1H-indol-3-yl) acetate
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 17357-14-1 |
|---|---|
| SMILES | CC(=O)OC1=CNC2=C1C=C(C=C2)Br |
| InChIKey | KFTGECHXNQBTNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indol-3-ol, 5-bromo-, 3-acetate (CAS 17357-14-1), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: (5-bromo-1H-indol-3-yl) acetate.
Chemical Property Profile of 1H-Indol-3-ol, 5-bromo-, 3-acetate
Property Insights of 1H-Indol-3-ol, 5-bromo-, 3-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indol-3-ol, 5-bromo-, 3-acetate. With a topological polar surface area (TPSA) of 42.1 Ų, 1H-Indol-3-ol, 5-bromo-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indol-3-ol, 5-bromo-, 3-acetate 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 1H-Indol-3-ol, 5-bromo-, 3-acetate?
The CAS number of 1H-Indol-3-ol, 5-bromo-, 3-acetate is 17357-14-1.
What is the molecular formula of 1H-Indol-3-ol, 5-bromo-, 3-acetate?
The molecular formula of 1H-Indol-3-ol, 5-bromo-, 3-acetate is C10H8BrNO2.
What is the molecular weight of 1H-Indol-3-ol, 5-bromo-, 3-acetate?
The molecular weight of 1H-Indol-3-ol, 5-bromo-, 3-acetate is 252.97 g/mol.
Where can I buy 1H-Indol-3-ol, 5-bromo-, 3-acetate?
You can request a quote for 1H-Indol-3-ol, 5-bromo-, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indol-3-ol, 5-bromo-, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indol-3-ol, 5-bromo-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.