BAS 00836857
TL;DR: BAS 00836857 (CAS 302559-67-7) is a chemical compound with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BAS 00836857, AF-399/11786028, N-[(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, N-[5-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide, (Z)-N-(5-(1-ethyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
| Molecular Formula | C20H15N3O3S2 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 2.9695 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.05548 |
| Heavy Atoms | 28 |
| Complexity | 1049.6713 |
Chemical Identifiers
| CAS Number | 302559-67-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4)/C1=O |
Product Overview
BAS 00836857 (CAS 302559-67-7), with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol. IUPAC: N-[(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BAS 00836857
Property Insights of BAS 00836857
The XLogP value of 2.9695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836857. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836857. Following Lipinski's Rule of Five, BAS 00836857 has 1 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 BAS 00836857?
The CAS number of BAS 00836857 is 302559-67-7.
What is the molecular formula of BAS 00836857?
The molecular formula of BAS 00836857 is C20H15N3O3S2.
What is the molecular weight of BAS 00836857?
The molecular weight of BAS 00836857 is 409.06 g/mol.
Where can I buy BAS 00836857?
You can request a quote for BAS 00836857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836857?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.