Tox21_113213
TL;DR: Tox21_113213 (CAS 907169-79-3) is a chemical compound with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(3,4-dimethoxyphenyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
Also Known As: Tox21_113213, CAS-907169-79-3, 3,7-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,5H-(1,2,4)triazolo(1,2-a)(1,2,4)triazole-1,5-dithione, 3,7-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione, 1H,5H-(1,2,4)Triazolo(1,2-a)(1,2,4)triazole-1,5-dithione, 3,7-bis(3,4-dimethoxyphenyl)tetrahydro-
| Molecular Formula | C20H22N4O4S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 2.7136 |
| Topological Polar Surface Area | 67.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.10825 |
| Heavy Atoms | 30 |
| Complexity | 923.2669 |
Chemical Identifiers
| CAS Number | 907169-79-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC(=C(C=C4)OC)OC)OC |
Product Overview
Tox21_113213 (CAS 907169-79-3), with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol. IUPAC: 1,5-bis(3,4-dimethoxyphenyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione.
Chemical Property Profile of Tox21_113213
Property Insights of Tox21_113213
The XLogP value of 2.7136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tox21_113213. The TPSA of 67.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_113213. Following Lipinski's Rule of Five, Tox21_113213 has 2 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 Tox21_113213?
The CAS number of Tox21_113213 is 907169-79-3.
What is the molecular formula of Tox21_113213?
The molecular formula of Tox21_113213 is C20H22N4O4S2.
What is the molecular weight of Tox21_113213?
The molecular weight of Tox21_113213 is 446.11 g/mol.
Where can I buy Tox21_113213?
You can request a quote for Tox21_113213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_113213?
Yes, KEHONG BIO provides custom synthesis services for Tox21_113213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.