BAS 00116933
TL;DR: BAS 00116933 (CAS 19685-36-0) is a chemical compound with molecular formula C22H23N3O3S4 and molecular weight 505.06 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-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
Also Known As: BAS 00116933, (2Z,5Z)-3,3'-diethyl-5-((E)-2-(3-ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)ethylidene)-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-ylidene)ethylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one, (5Z)-3-ETHYL-2-[(5Z)-3-ETHYL-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]-5-{2-[(2E)-3-ETHYL-5-METHOXY-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]ETHYLIDENE}-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-ethyl-5-{(5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H23N3O3S4 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 3.1808 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.06223 |
| Heavy Atoms | 32 |
| Complexity | 1308.6489 |
Chemical Identifiers
| CAS Number | 19685-36-0 |
|---|---|
| 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)CC)/S3)CC |
Product Overview
BAS 00116933 (CAS 19685-36-0), with molecular formula C22H23N3O3S4 and molecular weight 505.06 g/mol. IUPAC: (2Z,5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)ethylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00116933
Property Insights of BAS 00116933
The XLogP value of 3.1808 indicates that BAS 00116933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.78 Ų, BAS 00116933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00116933 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 00116933?
The CAS number of BAS 00116933 is 19685-36-0.
What is the molecular formula of BAS 00116933?
The molecular formula of BAS 00116933 is C22H23N3O3S4.
What is the molecular weight of BAS 00116933?
The molecular weight of BAS 00116933 is 505.06 g/mol.
Where can I buy BAS 00116933?
You can request a quote for BAS 00116933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00116933?
Yes, KEHONG BIO provides custom synthesis services for BAS 00116933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.