![1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- structure](/static/products/1294/129422-96-4.webp)
1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-
TL;DR: 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- (CAS 129422-96-4) is a chemical compound with molecular formula C13H21N3O2S and molecular weight 283.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane
Also Known As: 1-Tosyl-1,4,7-triazonane, 1-Tosyl-1,4,7-triazacyclononane, 1-(4-methylphenyl)sulfonyl-1,4,7-triazonane, 1-Tosyloctahydro-1H-1,4,7-triazonine, 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-
Technical Specifications
| Molecular Formula | C13H21N3O2S |
| Molecular Weight | 283.13544 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 69.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.13544 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCC2 |
| InChIKey | AKZCCDAIHAGQDT-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-
Property Insights of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-. Following Lipinski's Rule of Five, 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-?
The CAS number of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- is 129422-96-4.
What is the molecular formula of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-?
The molecular formula of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- is C13H21N3O2S.
What is the molecular weight of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-?
The molecular weight of 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- is 283.13544 g/mol.
Where can I buy 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-?
You can request a quote for 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]-?
Yes, CoreyChem provides custom synthesis services for 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.