C26H27N9O5
TL;DR: C26H27N9O5 (CAS 799772-71-7) is a chemical compound with molecular formula C26H27N9O5 and molecular weight 545.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Also Known As: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl benzoate, 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl benzoate
| Molecular Formula | C26H27N9O5 |
|---|---|
| Molecular Weight | 545.21 g/mol |
| LogP | 2.2101 |
| Topological Polar Surface Area | 175.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.2135 |
| Heavy Atoms | 40 |
| Complexity | 1510.0074 |
Chemical Identifiers
| CAS Number | 799772-71-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4)OC(=O)C5=CC=CC=C5 |
Product Overview
C26H27N9O5 (CAS 799772-71-7), with molecular formula C26H27N9O5 and molecular weight 545.21 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate.
Chemical Property Profile of C26H27N9O5
Property Insights of C26H27N9O5
The XLogP value of 2.2101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C26H27N9O5. The TPSA of 175.88 Ų indicates high polarity, suggesting C26H27N9O5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C26H27N9O5 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H27N9O5?
The CAS number of C26H27N9O5 is 799772-71-7.
What is the molecular formula of C26H27N9O5?
The molecular formula of C26H27N9O5 is C26H27N9O5.
What is the molecular weight of C26H27N9O5?
The molecular weight of C26H27N9O5 is 545.21 g/mol.
Where can I buy C26H27N9O5?
You can request a quote for C26H27N9O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H27N9O5?
Yes, KEHONG BIO provides custom synthesis services for C26H27N9O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.