C22H29N9O2
TL;DR: C22H29N9O2 (CAS 861110-24-9) is a chemical compound with molecular formula C22H29N9O2 and molecular weight 451.24442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(4-ethylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(4-ethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-ethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Technical Specifications
| Molecular Formula | C22H29N9O2 |
| Molecular Weight | 451.24442 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.24442 Da |
| Heavy Atoms | 33 |
| Complexity | 652.0 |
| SMILES | CCC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4CCCCC4 |
| InChIKey | KJWXJLAIXLWTCD-ZMOGYAJESA-N |
Chemical Property Profile of C22H29N9O2
Property Insights of C22H29N9O2
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H29N9O2. The TPSA of 140.0 Ų indicates high polarity, suggesting C22H29N9O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H29N9O2 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C22H29N9O2?
The CAS number of C22H29N9O2 is 861110-24-9.
What is the molecular formula of C22H29N9O2?
The molecular formula of C22H29N9O2 is C22H29N9O2.
What is the molecular weight of C22H29N9O2?
The molecular weight of C22H29N9O2 is 451.24442 g/mol.
Where can I buy C22H29N9O2?
You can request a quote for C22H29N9O2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H29N9O2?
Yes, CoreyChem provides custom synthesis services for C22H29N9O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.