(4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
TL;DR: (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 462066-67-7) is a chemical compound with molecular formula C11H10N4O6 and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Also Known As: BAS 01171220, 4-Methoxy-3-nitrobenzyl 4-amino-1,2,5-oxadiazole-3-carboxylate, (4-methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate, 4-Amino-furazan-3-carboxylic acid 4-methoxy-3-nitro-benzyl ester
| Molecular Formula | C11H10N4O6 |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.06003 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 462066-67-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)COC(=O)C2=NON=C2N)[N+](=O)[O-] |
| InChIKey | HSEMTPXJNDUBOY-UHFFFAOYSA-N |
Product Overview
(4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 462066-67-7), with molecular formula C11H10N4O6 and molecular weight 294.06 g/mol. IUPAC: (4-methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate.
Chemical Property Profile of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Property Insights of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate. The TPSA of 146.0 Ų indicates high polarity, suggesting (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate has 1 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 (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The CAS number of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 462066-67-7.
What is the molecular formula of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular formula of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate is C11H10N4O6.
What is the molecular weight of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular weight of (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 294.06 g/mol.
Where can I buy (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
You can request a quote for (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxy-3-nitrophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.