A2577/0109954
TL;DR: A2577/0109954 (CAS 496924-80-2) is a chemical compound with molecular formula C17H18N6O6 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-nitrophenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate
Also Known As: A2577/0109954, 4-methoxy-3-nitrobenzyl 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1,2,5-oxadiazole-3-carboxylate, (4-methoxy-3-nitrophenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate, 4-methoxy-3-nitrobenzyl 4-(((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amino)-1,2,5-oxadiazole-3-carboxylate
| Molecular Formula | C17H18N6O6 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.22634 |
| Topological Polar Surface Area | 147.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.12878 |
| Heavy Atoms | 29 |
| Complexity | 1042.9655 |
Chemical Identifiers
| CAS Number | 496924-80-2 |
|---|---|
| SMILES | CC1=CC(=NN1CNC2=NON=C2C(=O)OCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C |
Product Overview
A2577/0109954 (CAS 496924-80-2), with molecular formula C17H18N6O6 and molecular weight 402.13 g/mol. IUPAC: (4-methoxy-3-nitrophenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate.
Chemical Property Profile of A2577/0109954
Property Insights of A2577/0109954
The XLogP value of 2.22634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2577/0109954. The TPSA of 147.44 Ų indicates high polarity, suggesting A2577/0109954 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2577/0109954 has 1 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 A2577/0109954?
The CAS number of A2577/0109954 is 496924-80-2.
What is the molecular formula of A2577/0109954?
The molecular formula of A2577/0109954 is C17H18N6O6.
What is the molecular weight of A2577/0109954?
The molecular weight of A2577/0109954 is 402.13 g/mol.
Where can I buy A2577/0109954?
You can request a quote for A2577/0109954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2577/0109954?
Yes, KEHONG BIO provides custom synthesis services for A2577/0109954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.