4-Bromoisatin
TL;DR: 4-Bromoisatin (CAS 20780-72-7) is a chemical compound with molecular formula C8H4BrNO2 and molecular weight 224.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1H-indole-2,3-dione
Also Known As: 4-bromoisatin, 4-bromo-1H-indole-2,3-dione, 4-Bromo-Isatin, 4-bromoindoline-2,3-dione, danazol
| Molecular Formula | C8H4BrNO2 |
|---|---|
| Molecular Weight | 224.94 g/mol |
| LogP | 1.5839 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.94254 |
| Heavy Atoms | 12 |
| Complexity | 386.6443 |
Chemical Identifiers
| CAS Number | 20780-72-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 |
Product Overview
4-Bromoisatin (CAS 20780-72-7), with molecular formula C8H4BrNO2 and molecular weight 224.94 g/mol. IUPAC: 4-bromo-1H-indole-2,3-dione.
Chemical Property Profile of 4-Bromoisatin
Property Insights of 4-Bromoisatin
The XLogP value of 1.5839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromoisatin. With a topological polar surface area (TPSA) of 46.17 Ų, 4-Bromoisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoisatin 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 4-Bromoisatin?
The CAS number of 4-Bromoisatin is 20780-72-7.
What is the molecular formula of 4-Bromoisatin?
The molecular formula of 4-Bromoisatin is C8H4BrNO2.
What is the molecular weight of 4-Bromoisatin?
The molecular weight of 4-Bromoisatin is 224.94 g/mol.
Where can I buy 4-Bromoisatin?
You can request a quote for 4-Bromoisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromoisatin?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.