BAS 00839693
TL;DR: BAS 00839693 (CAS 301680-08-0) is a chemical compound with molecular formula C21H15BrN2O4S2 and molecular weight 501.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
Also Known As: BAS 00839693, A2194/0092305, ethyl {(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate, (Z)-ethyl 2-(3-(3-(4-bromophenyl)-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetate, ethyl 2-[(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
| Molecular Formula | C21H15BrN2O4S2 |
|---|---|
| Molecular Weight | 501.97 g/mol |
| LogP | 4.1348 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.96567 |
| Heavy Atoms | 30 |
| Complexity | 1114.2444 |
Chemical Identifiers
| CAS Number | 301680-08-0 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)Br)/C1=O |
Product Overview
BAS 00839693 (CAS 301680-08-0), with molecular formula C21H15BrN2O4S2 and molecular weight 501.97 g/mol. IUPAC: ethyl 2-[(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate.
Chemical Property Profile of BAS 00839693
Property Insights of BAS 00839693
The XLogP value of 4.1348 indicates that BAS 00839693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00839693. Following Lipinski's Rule of Five, BAS 00839693 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00839693?
The CAS number of BAS 00839693 is 301680-08-0.
What is the molecular formula of BAS 00839693?
The molecular formula of BAS 00839693 is C21H15BrN2O4S2.
What is the molecular weight of BAS 00839693?
The molecular weight of BAS 00839693 is 501.97 g/mol.
Where can I buy BAS 00839693?
You can request a quote for BAS 00839693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00839693?
Yes, KEHONG BIO provides custom synthesis services for BAS 00839693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.