C21H18N8O5
TL;DR: C21H18N8O5 (CAS 587010-86-4) is a chemical compound with molecular formula C21H18N8O5 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid, 2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
| Molecular Formula | C21H18N8O5 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 1.7603 |
| Topological Polar Surface Area | 183.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.14 |
| Heavy Atoms | 34 |
| Complexity | 1359.7582 |
Chemical Identifiers
| CAS Number | 587010-86-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
C21H18N8O5 (CAS 587010-86-4), with molecular formula C21H18N8O5 and molecular weight 462.14 g/mol. IUPAC: 2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of C21H18N8O5
Property Insights of C21H18N8O5
The XLogP value of 1.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H18N8O5. The TPSA of 183.64 Ų indicates high polarity, suggesting C21H18N8O5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H18N8O5 has 3 hydrogen bond donor(s) and 10 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 C21H18N8O5?
The CAS number of C21H18N8O5 is 587010-86-4.
What is the molecular formula of C21H18N8O5?
The molecular formula of C21H18N8O5 is C21H18N8O5.
What is the molecular weight of C21H18N8O5?
The molecular weight of C21H18N8O5 is 462.14 g/mol.
Where can I buy C21H18N8O5?
You can request a quote for C21H18N8O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18N8O5?
Yes, KEHONG BIO provides custom synthesis services for C21H18N8O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.