BIM-0042105.P001
TL;DR: BIM-0042105.P001 (CAS 6046-00-0) is a chemical compound with molecular formula C17H8BrClN2O2S2 and molecular weight 449.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-bromo-2-oxoindol-3-yl)-3-(3-chlorophenyl)-4-sulfanyl-1,3-thiazol-2-one
Also Known As: BIM-0042105.P001, 5-bromo-3-[3-(3-chlorophenyl)-2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, 5-(5-Bromo-2-oxoindol-3-yl)-3-(3-chlorophenyl)-4-sulfanyl-1,3-thiazol-2-one, (3E)-5-Bromo-3-[3-(3-chlorophenyl)-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(3-chlorophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
| Molecular Formula | C17H8BrClN2O2S2 |
|---|---|
| Molecular Weight | 449.89 g/mol |
| LogP | 2.9624 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.88992 |
| Heavy Atoms | 25 |
| Complexity | 1230.1753 |
Chemical Identifiers
| CAS Number | 6046-00-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=C(SC2=O)C3=C4C=C(C=CC4=NC3=O)Br)S |
Product Overview
BIM-0042105.P001 (CAS 6046-00-0), with molecular formula C17H8BrClN2O2S2 and molecular weight 449.89 g/mol. IUPAC: 5-(5-bromo-2-oxoindol-3-yl)-3-(3-chlorophenyl)-4-sulfanyl-1,3-thiazol-2-one.
Chemical Property Profile of BIM-0042105.P001
Property Insights of BIM-0042105.P001
The XLogP value of 2.9624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0042105.P001. With a topological polar surface area (TPSA) of 51.43 Ų, BIM-0042105.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0042105.P001 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 BIM-0042105.P001?
The CAS number of BIM-0042105.P001 is 6046-00-0.
What is the molecular formula of BIM-0042105.P001?
The molecular formula of BIM-0042105.P001 is C17H8BrClN2O2S2.
What is the molecular weight of BIM-0042105.P001?
The molecular weight of BIM-0042105.P001 is 449.89 g/mol.
Where can I buy BIM-0042105.P001?
You can request a quote for BIM-0042105.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042105.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042105.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.