BAS 02251301
TL;DR: BAS 02251301 (CAS 374544-84-0) is a chemical compound with molecular formula C16H13BrN2O4S3 and molecular weight 471.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 02251301, IDI1_020760, (3Z)-5-bromo-3-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one, (Z)-5-(5-bromo-1-methyl-2-oxoindolin-3-ylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxothiazolidin-4-one, (3Z)-5-BROMO-3-[3-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1-METHYL-1,3-DIHYDRO-2H-INDOL-2-ONE
| Molecular Formula | C16H13BrN2O4S3 |
|---|---|
| Molecular Weight | 471.92 g/mol |
| LogP | 2.184 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 471.9221 |
| Heavy Atoms | 26 |
| Complexity | 1018.3212 |
Chemical Identifiers
| CAS Number | 374544-84-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)/C1=O |
Product Overview
BAS 02251301 (CAS 374544-84-0), with molecular formula C16H13BrN2O4S3 and molecular weight 471.92 g/mol. IUPAC: (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 02251301
Property Insights of BAS 02251301
The XLogP value of 2.184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02251301. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02251301. Following Lipinski's Rule of Five, BAS 02251301 has 0 hydrogen bond donor(s) and 6 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 02251301?
The CAS number of BAS 02251301 is 374544-84-0.
What is the molecular formula of BAS 02251301?
The molecular formula of BAS 02251301 is C16H13BrN2O4S3.
What is the molecular weight of BAS 02251301?
The molecular weight of BAS 02251301 is 471.92 g/mol.
Where can I buy BAS 02251301?
You can request a quote for BAS 02251301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02251301?
Yes, KEHONG BIO provides custom synthesis services for BAS 02251301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.