BAS 00246052
TL;DR: BAS 00246052 (CAS 301689-80-5) is a chemical compound with molecular formula C17H8Br2N2O2S2 and molecular weight 493.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[3-(4-bromophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: BAS 00246052, AE-848/08335005, (3E)-5-bromo-3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (E)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-bromophenyl)-2-thioxothiazolidin-4-one, 5-bromo-3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C17H8Br2N2O2S2 |
|---|---|
| Molecular Weight | 493.84 g/mol |
| LogP | 3.85769 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.8394 |
| Heavy Atoms | 25 |
| Complexity | 1210.9253 |
Chemical Identifiers
| CAS Number | 301689-80-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O)Br |
Product Overview
BAS 00246052 (CAS 301689-80-5), with molecular formula C17H8Br2N2O2S2 and molecular weight 493.84 g/mol. IUPAC: 5-bromo-3-[3-(4-bromophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of BAS 00246052
Property Insights of BAS 00246052
The XLogP value of 3.85769 indicates that BAS 00246052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, BAS 00246052 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00246052 has 1 hydrogen bond donor(s) and 4 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 BAS 00246052?
The CAS number of BAS 00246052 is 301689-80-5.
What is the molecular formula of BAS 00246052?
The molecular formula of BAS 00246052 is C17H8Br2N2O2S2.
What is the molecular weight of BAS 00246052?
The molecular weight of BAS 00246052 is 493.84 g/mol.
Where can I buy BAS 00246052?
You can request a quote for BAS 00246052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00246052?
Yes, KEHONG BIO provides custom synthesis services for BAS 00246052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.