1-Benzyl-5-bromoisatin
TL;DR: 1-Benzyl-5-bromoisatin (CAS 79183-44-1) is a chemical compound with molecular formula C15H10BrNO2 and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-bromoindole-2,3-dione
Also Known As: 1-Benzyl-5-bromoindoline-2,3-dione, 1-Benzyl-5-bromo-isatin, 1-Benzyl-5-bromoisatin, 1-benzyl-5-bromo-1H-indole-2,3-dione, 1-Benzyl-5-bromo-indole-2,3-dione
| Molecular Formula | C15H10BrNO2 |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.9895 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 79183-44-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O |
| InChIKey | GGXZCVYJRFSCPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-5-bromoisatin (CAS 79183-44-1), with molecular formula C15H10BrNO2 and molecular weight 314.99 g/mol. IUPAC: 1-benzyl-5-bromoindole-2,3-dione.
Chemical Property Profile of 1-Benzyl-5-bromoisatin
Property Insights of 1-Benzyl-5-bromoisatin
The XLogP value of 3.1 indicates that 1-Benzyl-5-bromoisatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Benzyl-5-bromoisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-bromoisatin has 0 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 1-Benzyl-5-bromoisatin?
The CAS number of 1-Benzyl-5-bromoisatin is 79183-44-1.
What is the molecular formula of 1-Benzyl-5-bromoisatin?
The molecular formula of 1-Benzyl-5-bromoisatin is C15H10BrNO2.
What is the molecular weight of 1-Benzyl-5-bromoisatin?
The molecular weight of 1-Benzyl-5-bromoisatin is 314.99 g/mol.
Where can I buy 1-Benzyl-5-bromoisatin?
You can request a quote for 1-Benzyl-5-bromoisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-bromoisatin?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-bromoisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.