Tivanidazole
TL;DR: Tivanidazole (CAS 80680-05-3) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-[(E)-1-(1-methyl-5-nitroimidazol-2-yl)prop-1-en-2-yl]-1,3,4-thiadiazole
Also Known As: Tivanidazole, tivanidazol, tivanidazolum, Tivanidazole [INN], 2-ethyl-5-[(E)-1-(1-methyl-5-nitroimidazol-2-yl)prop-1-en-2-yl]-1,3,4-thiadiazole
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.3027 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 643.3063 |
Chemical Identifiers
| CAS Number | 80680-05-3 |
|---|---|
| SMILES | CCC1=NN=C(S1)/C(=C/C2=NC=C(N2C)[N+](=O)[O-])/C |
Product Overview
Tivanidazole (CAS 80680-05-3), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: 2-ethyl-5-[(E)-1-(1-methyl-5-nitroimidazol-2-yl)prop-1-en-2-yl]-1,3,4-thiadiazole.
Chemical Property Profile of Tivanidazole
Property Insights of Tivanidazole
The XLogP value of 2.3027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tivanidazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Tivanidazole. Following Lipinski's Rule of Five, Tivanidazole 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 Tivanidazole?
The CAS number of Tivanidazole is 80680-05-3.
What is the molecular formula of Tivanidazole?
The molecular formula of Tivanidazole is C11H13N5O2S.
What is the molecular weight of Tivanidazole?
The molecular weight of Tivanidazole is 279.08 g/mol.
Where can I buy Tivanidazole?
You can request a quote for Tivanidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tivanidazole?
Yes, KEHONG BIO provides custom synthesis services for Tivanidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.