BAS 00294192
TL;DR: BAS 00294192 (CAS 313553-68-3) is a chemical compound with molecular formula C22H21N3O3S4 and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
Also Known As: BAS 00294192, (2Z,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one, (2Z,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one, 3,3'-diallyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2'-thioxo-2,5'-bis[1,3-thiazolidin-2-ylidene]-4,4'-dione, 5-(3-ethyl-5-methoxy(3-hydrobenzothiazol-2-ylidene))-2-(4-oxo-3-prop-2-enyl-2- thioxo(1,3-thiazolidin-5-ylidene))-3-prop-2-enyl-1,3-thiazolidin-4-one
| Molecular Formula | C22H21N3O3S4 |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | 2.9568 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.04657 |
| Heavy Atoms | 32 |
| Complexity | 1324.8615 |
Chemical Identifiers
| CAS Number | 313553-68-3 |
|---|---|
| SMILES | CCN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(/C(=C/4\C(=O)N(C(=S)S4)CC=C)/S3)CC=C |
Product Overview
BAS 00294192 (CAS 313553-68-3), with molecular formula C22H21N3O3S4 and molecular weight 503.05 g/mol. IUPAC: (2Z,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00294192
Property Insights of BAS 00294192
The XLogP value of 2.9568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00294192. With a topological polar surface area (TPSA) of 54.78 Ų, BAS 00294192 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00294192 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00294192?
The CAS number of BAS 00294192 is 313553-68-3.
What is the molecular formula of BAS 00294192?
The molecular formula of BAS 00294192 is C22H21N3O3S4.
What is the molecular weight of BAS 00294192?
The molecular weight of BAS 00294192 is 503.05 g/mol.
Where can I buy BAS 00294192?
You can request a quote for BAS 00294192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00294192?
Yes, KEHONG BIO provides custom synthesis services for BAS 00294192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.