C23H22FN9O6
TL;DR: C23H22FN9O6 (CAS 840514-63-8) is a chemical compound with molecular formula C23H22FN9O6 and molecular weight 539.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenoxy)acetamide, 2-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenoxy)acetamide
| Molecular Formula | C23H22FN9O6 |
|---|---|
| Molecular Weight | 539.17 g/mol |
| LogP | 0.9773 |
| Topological Polar Surface Area | 207.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 539.1677 |
| Heavy Atoms | 39 |
| Complexity | 1485.7368 |
Chemical Identifiers
| CAS Number | 840514-63-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)OCC(=O)N |
Product Overview
C23H22FN9O6 (CAS 840514-63-8), with molecular formula C23H22FN9O6 and molecular weight 539.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide.
Chemical Property Profile of C23H22FN9O6
Property Insights of C23H22FN9O6
The XLogP value of 0.9773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H22FN9O6. The TPSA of 207.89 Ų indicates high polarity, suggesting C23H22FN9O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H22FN9O6 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 C23H22FN9O6?
The CAS number of C23H22FN9O6 is 840514-63-8.
What is the molecular formula of C23H22FN9O6?
The molecular formula of C23H22FN9O6 is C23H22FN9O6.
What is the molecular weight of C23H22FN9O6?
The molecular weight of C23H22FN9O6 is 539.17 g/mol.
Where can I buy C23H22FN9O6?
You can request a quote for C23H22FN9O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H22FN9O6?
Yes, KEHONG BIO provides custom synthesis services for C23H22FN9O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.