BAS 00116934
TL;DR: BAS 00116934 (CAS 300383-33-9) is a chemical compound with molecular formula C21H21N3O3S4 and molecular weight 491.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)ethylidene]-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
Also Known As: BAS 00116934, (2Z,5Z)-3-ethyl-5-((E)-2-(3-ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)ethylidene)-3'-methyl-2'-thioxo-2'H,3H-[2,5'-bithiazolylidene]-4,4'(3'H,5H)-dione, (2Z,5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one, (2Z,5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)ethylidene]-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one, 3-ethyl-5-[2-(3-ethyl-5-methoxy(3-hydrobenzothiazol-2-ylidene))ethylidene]-2-( 3-methyl-4-oxo-2-thioxo(1,3-thiazolidin-5-ylidene))-1,3-thiazolidin-4-one
| Molecular Formula | C21H21N3O3S4 |
|---|---|
| Molecular Weight | 491.05 g/mol |
| LogP | 2.7907 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.04657 |
| Heavy Atoms | 31 |
| Complexity | 1291.914 |
Chemical Identifiers
| CAS Number | 300383-33-9 |
|---|---|
| SMILES | CCN\1C2=C(C=CC(=C2)OC)S/C1=C/C=C\3/C(=O)N(/C(=C/4\C(=O)N(C(=S)S4)C)/S3)CC |
Product Overview
BAS 00116934 (CAS 300383-33-9), with molecular formula C21H21N3O3S4 and molecular weight 491.05 g/mol. IUPAC: (2Z,5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)ethylidene]-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00116934
Property Insights of BAS 00116934
The XLogP value of 2.7907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00116934. With a topological polar surface area (TPSA) of 54.78 Ų, BAS 00116934 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00116934 has 0 hydrogen bond donor(s) and 8 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 00116934?
The CAS number of BAS 00116934 is 300383-33-9.
What is the molecular formula of BAS 00116934?
The molecular formula of BAS 00116934 is C21H21N3O3S4.
What is the molecular weight of BAS 00116934?
The molecular weight of BAS 00116934 is 491.05 g/mol.
Where can I buy BAS 00116934?
You can request a quote for BAS 00116934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00116934?
Yes, KEHONG BIO provides custom synthesis services for BAS 00116934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.