A3021/0127363
TL;DR: A3021/0127363 (CAS 500196-40-7) is a chemical compound with molecular formula C22H26N8O4S4 and molecular weight 594.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
Also Known As: A3021/0127363, 1,2-bis(4-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)piperazin-1-yl)ethane, 4-[4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole, 4,4'-[ethane-1,2-diylbis(piperazine-4,1-diylsulfonyl)]bis(2,1,3-benzothiadiazole), 2,1,3-BENZOTHIADIAZOL-4-YL (4-{2-[4-(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)PIPERAZINO]ETHYL}PIPERAZINO) SULFONE
| Molecular Formula | C22H26N8O4S4 |
|---|---|
| Molecular Weight | 594.10 g/mol |
| LogP | 1.0088 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.096 |
| Heavy Atoms | 38 |
| Complexity | 1532.6168 |
Chemical Identifiers
| CAS Number | 500196-40-7 |
|---|---|
| SMILES | C1CN(CCN1CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)S(=O)(=O)C5=CC=CC6=NSN=C65 |
Product Overview
A3021/0127363 (CAS 500196-40-7), with molecular formula C22H26N8O4S4 and molecular weight 594.10 g/mol. IUPAC: 4-[4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole.
Chemical Property Profile of A3021/0127363
Property Insights of A3021/0127363
The XLogP value of 1.0088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3021/0127363. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3021/0127363. Following Lipinski's Rule of Five, A3021/0127363 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3021/0127363?
The CAS number of A3021/0127363 is 500196-40-7.
What is the molecular formula of A3021/0127363?
The molecular formula of A3021/0127363 is C22H26N8O4S4.
What is the molecular weight of A3021/0127363?
The molecular weight of A3021/0127363 is 594.10 g/mol.
Where can I buy A3021/0127363?
You can request a quote for A3021/0127363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3021/0127363?
Yes, KEHONG BIO provides custom synthesis services for A3021/0127363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.