C21H16N8O7
TL;DR: C21H16N8O7 (CAS 849020-19-5) is a chemical compound with molecular formula C21H16N8O7 and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid
| Molecular Formula | C21H16N8O7 |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 0.8555 |
| Topological Polar Surface Area | 202.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1142 |
| Heavy Atoms | 36 |
| Complexity | 1461.4336 |
Chemical Identifiers
| CAS Number | 849020-19-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)N/N=C/C5=CC=C(C=C5)OCC(=O)O |
Product Overview
C21H16N8O7 (CAS 849020-19-5), with molecular formula C21H16N8O7 and molecular weight 492.11 g/mol. IUPAC: 2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of C21H16N8O7
Property Insights of C21H16N8O7
The XLogP value of 0.8555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H16N8O7. The TPSA of 202.1 Ų indicates high polarity, suggesting C21H16N8O7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H16N8O7 has 3 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 C21H16N8O7?
The CAS number of C21H16N8O7 is 849020-19-5.
What is the molecular formula of C21H16N8O7?
The molecular formula of C21H16N8O7 is C21H16N8O7.
What is the molecular weight of C21H16N8O7?
The molecular weight of C21H16N8O7 is 492.11 g/mol.
Where can I buy C21H16N8O7?
You can request a quote for C21H16N8O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16N8O7?
Yes, KEHONG BIO provides custom synthesis services for C21H16N8O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.