Abts
TL;DR: Abts (CAS 28752-68-3) is a chemical compound with molecular formula C18H18N4O6S4 and molecular weight 514.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
Also Known As: ABTS, ABTS (ammonium salt), 2,2-Diphenylcyclopropanecarbonitrile, 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid), 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)
| Molecular Formula | C18H18N4O6S4 |
|---|---|
| Molecular Weight | 514.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.0109 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 28752-68-3 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC |
| InChIKey | ZTOJFFHGPLIVKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Abts (CAS 28752-68-3), with molecular formula C18H18N4O6S4 and molecular weight 514.01 g/mol. IUPAC: 3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid.
Chemical Property Profile of Abts
Property Insights of Abts
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abts. The TPSA of 207.0 Ų indicates high polarity, suggesting Abts may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abts has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abts?
The CAS number of Abts is 28752-68-3.
What is the molecular formula of Abts?
The molecular formula of Abts is C18H18N4O6S4.
What is the molecular weight of Abts?
The molecular weight of Abts is 514.01 g/mol.
Where can I buy Abts?
You can request a quote for Abts directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abts?
Yes, KEHONG BIO provides custom synthesis services for Abts and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.