C22H31N9O2
TL;DR: C22H31N9O2 (CAS 498537-93-2) is a chemical compound with molecular formula C22H31N9O2 and molecular weight 453.26 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)-5-(diethylaminomethyl)-N-[(E)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((diethylamino)methyl)-N'-(1-(4-isobutylphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(1E)-1-[4-(2-methylpropyl)phenyl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H31N9O2 |
|---|---|
| Molecular Weight | 453.26 g/mol |
| LogP | 2.4268 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.26007 |
| Heavy Atoms | 33 |
| Complexity | 1095.5269 |
Chemical Identifiers
| CAS Number | 498537-93-2 |
|---|---|
| SMILES | CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C(\C)/C3=CC=C(C=C3)CC(C)C |
Product Overview
C22H31N9O2 (CAS 498537-93-2), with molecular formula C22H31N9O2 and molecular weight 453.26 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C22H31N9O2
Property Insights of C22H31N9O2
The XLogP value of 2.4268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H31N9O2. The TPSA of 140.35 Ų indicates high polarity, suggesting C22H31N9O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H31N9O2 has 2 hydrogen bond donor(s) and 9 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 C22H31N9O2?
The CAS number of C22H31N9O2 is 498537-93-2.
What is the molecular formula of C22H31N9O2?
The molecular formula of C22H31N9O2 is C22H31N9O2.
What is the molecular weight of C22H31N9O2?
The molecular weight of C22H31N9O2 is 453.26 g/mol.
Where can I buy C22H31N9O2?
You can request a quote for C22H31N9O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H31N9O2?
Yes, KEHONG BIO provides custom synthesis services for C22H31N9O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.