Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate
TL;DR: Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate (CAS 159014-15-0) is a chemical compound with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate
Also Known As: ZERO/008164, methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate
| Molecular Formula | C4H3N3O5 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -0.2356 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.00726 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 159014-15-0 |
|---|---|
| SMILES | COC(=O)C1=NON=C1[N+](=O)[O-] |
Product Overview
Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate (CAS 159014-15-0), with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol. IUPAC: methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate.
Chemical Property Profile of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate
Property Insights of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate
The XLogP value of -0.2356 indicates that Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate?
The CAS number of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate is 159014-15-0.
What is the molecular formula of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate?
The molecular formula of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate is C4H3N3O5.
What is the molecular weight of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate?
The molecular weight of Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate is 173.01 g/mol.
Where can I buy Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate?
You can request a quote for Methyl 4-nitro-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 Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitro-1,2,5-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.