BIM-0042696.P001
TL;DR: BIM-0042696.P001 (CAS 1164553-35-8) is a chemical compound with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BIM-0042696.P001, AF-399/11786130, 3-hydroxy-N-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide, 3-hydroxy-N-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 3-HYDROXY-N-[(5Z)-5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BENZAMIDE
| Molecular Formula | C20H16N2O3S2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.8847 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.06024 |
| Heavy Atoms | 27 |
| Complexity | 968.2019 |
Chemical Identifiers
| CAS Number | 1164553-35-8 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)O |
Product Overview
BIM-0042696.P001 (CAS 1164553-35-8), with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol. IUPAC: 3-hydroxy-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BIM-0042696.P001
Property Insights of BIM-0042696.P001
The XLogP value of 3.8847 indicates that BIM-0042696.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042696.P001. Following Lipinski's Rule of Five, BIM-0042696.P001 has 2 hydrogen bond donor(s) and 5 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-0042696.P001?
The CAS number of BIM-0042696.P001 is 1164553-35-8.
What is the molecular formula of BIM-0042696.P001?
The molecular formula of BIM-0042696.P001 is C20H16N2O3S2.
What is the molecular weight of BIM-0042696.P001?
The molecular weight of BIM-0042696.P001 is 396.06 g/mol.
Where can I buy BIM-0042696.P001?
You can request a quote for BIM-0042696.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042696.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042696.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.