5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one
TL;DR: 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one (CAS 113549-10-3) is a chemical compound with molecular formula C10H8BrNOS2 and molecular weight 300.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
Also Known As: Thibenzazoline, 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one, 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one, 5'-Bromospiro[[1,3]dithiolane-2,3'-indolin]-2'-one, 5-bromo-3,3-(ethylenedithio)-1,3-dihydroindole-2-one
| Molecular Formula | C10H8BrNOS2 |
|---|---|
| Molecular Weight | 300.92 g/mol |
| LogP | 3.034 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.92307 |
| Heavy Atoms | 15 |
| Complexity | 443.04858 |
Chemical Identifiers
| CAS Number | 113549-10-3 |
|---|---|
| SMILES | C1CSC2(S1)C3=C(C=CC(=C3)Br)NC2=O |
Product Overview
5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one (CAS 113549-10-3), with molecular formula C10H8BrNOS2 and molecular weight 300.92 g/mol. IUPAC: 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.
Chemical Property Profile of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one
Property Insights of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one
The XLogP value of 3.034 indicates that 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one has 1 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 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one?
The CAS number of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one is 113549-10-3.
What is the molecular formula of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one?
The molecular formula of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one is C10H8BrNOS2.
What is the molecular weight of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one?
The molecular weight of 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one is 300.92 g/mol.
Where can I buy 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one?
You can request a quote for 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3,3-(ethylenedithio)-1,3-dihydro-indole-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.