1,2,5-thiadiazolo-3,5-dicarbonitrile
TL;DR: 1,2,5-thiadiazolo-3,5-dicarbonitrile (CAS 26475-18-3) is a chemical compound with molecular formula C23H22F3N3O2 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-ylethyl)-4-phenyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Also Known As: 1,2,5-thiadiazolo-3,5-dicarbonitrile, 3(2H)-Pyridazinone, 2-(2-morpholinoethyl)-4-phenyl-6-(alpha,alpha,alpha-m-tolyl)-, 2-(2-Morpholinoethyl)-4-phenyl-6-(alpha,alpha,alpha-m-tolyl)-3(2H)-pyridazinone, 2-[2-(morpholin-4-yl)ethyl]-4-phenyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3(2h)-one, 2-(2-morpholin-4-ylethyl)-4-phenyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one
| Molecular Formula | C23H22F3N3O2 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1664 |
| Heavy Atoms | 31 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 26475-18-3 |
|---|---|
| SMILES | C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4 |
| InChIKey | LVBYUAVGTDZZCK-UHFFFAOYSA-N |
Product Overview
1,2,5-thiadiazolo-3,5-dicarbonitrile (CAS 26475-18-3), with molecular formula C23H22F3N3O2 and molecular weight 429.17 g/mol. IUPAC: 2-(2-morpholin-4-ylethyl)-4-phenyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one.
Chemical Property Profile of 1,2,5-thiadiazolo-3,5-dicarbonitrile
Property Insights of 1,2,5-thiadiazolo-3,5-dicarbonitrile
The XLogP value of 3.6 indicates that 1,2,5-thiadiazolo-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, 1,2,5-thiadiazolo-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,5-thiadiazolo-3,5-dicarbonitrile has 0 hydrogen bond donor(s) and 7 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 1,2,5-thiadiazolo-3,5-dicarbonitrile?
The CAS number of 1,2,5-thiadiazolo-3,5-dicarbonitrile is 26475-18-3.
What is the molecular formula of 1,2,5-thiadiazolo-3,5-dicarbonitrile?
The molecular formula of 1,2,5-thiadiazolo-3,5-dicarbonitrile is C23H22F3N3O2.
What is the molecular weight of 1,2,5-thiadiazolo-3,5-dicarbonitrile?
The molecular weight of 1,2,5-thiadiazolo-3,5-dicarbonitrile is 429.17 g/mol.
Where can I buy 1,2,5-thiadiazolo-3,5-dicarbonitrile?
You can request a quote for 1,2,5-thiadiazolo-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-thiadiazolo-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-thiadiazolo-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.