C18H21N9O4
TL;DR: C18H21N9O4 (CAS 861123-90-2) is a chemical compound with molecular formula C18H21N9O4 and molecular weight 427.17 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)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-propyltriazole-4-carboxamide
Also Known As: (E)-2-(4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenoxy)acetamide, 2-{4-[(1E)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide
| Molecular Formula | C18H21N9O4 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 0.2031 |
| Topological Polar Surface Area | 189.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.17166 |
| Heavy Atoms | 31 |
| Complexity | 1101.6908 |
Chemical Identifiers
| CAS Number | 861123-90-2 |
|---|---|
| SMILES | CCCC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C(\C)/C3=CC=C(C=C3)OCC(=O)N |
Product Overview
C18H21N9O4 (CAS 861123-90-2), with molecular formula C18H21N9O4 and molecular weight 427.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-propyltriazole-4-carboxamide.
Chemical Property Profile of C18H21N9O4
Property Insights of C18H21N9O4
The XLogP value of 0.2031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H21N9O4. The TPSA of 189.43 Ų indicates high polarity, suggesting C18H21N9O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H21N9O4 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 C18H21N9O4?
The CAS number of C18H21N9O4 is 861123-90-2.
What is the molecular formula of C18H21N9O4?
The molecular formula of C18H21N9O4 is C18H21N9O4.
What is the molecular weight of C18H21N9O4?
The molecular weight of C18H21N9O4 is 427.17 g/mol.
Where can I buy C18H21N9O4?
You can request a quote for C18H21N9O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H21N9O4?
Yes, KEHONG BIO provides custom synthesis services for C18H21N9O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.