Agidol 70
TL;DR: Agidol 70 (CAS 105247-17-4) is a chemical compound with molecular formula C22H27NOS2 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione
Also Known As: Agidol 70, 2(3H)-Benzothiazolethione, 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione, N-(4-hydroxy-3,5-di-t-butylbenzyl)benzothiazole-2-thione, 3-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3-benzothiazole-2(3H)-thione
| Molecular Formula | C22H27NOS2 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.1534 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 105247-17-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C3=CC=CC=C3SC2=S |
| InChIKey | FQQRWOWMCBISBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Agidol 70 (CAS 105247-17-4), with molecular formula C22H27NOS2 and molecular weight 385.15 g/mol. IUPAC: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of Agidol 70
Property Insights of Agidol 70
The XLogP value of 6.9 indicates that Agidol 70 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Agidol 70. Following Lipinski's Rule of Five, Agidol 70 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agidol 70?
The CAS number of Agidol 70 is 105247-17-4.
What is the molecular formula of Agidol 70?
The molecular formula of Agidol 70 is C22H27NOS2.
What is the molecular weight of Agidol 70?
The molecular weight of Agidol 70 is 385.15 g/mol.
Where can I buy Agidol 70?
You can request a quote for Agidol 70 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agidol 70?
Yes, KEHONG BIO provides custom synthesis services for Agidol 70 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.