5-Methoxy-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-Methoxy-4-nitro-2,1,3-benzoxadiazole (CAS 18333-74-9) is a chemical compound with molecular formula C7H5N3O4 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-nitro-2,1,3-benzoxadiazole
Also Known As: 5-methoxy-4-nitro-2,1,3-benzoxadiazole, 4-Nitro-5-methoxybenzofurazane, BAS 00413401, 4-nitro-5-methoxy-2,1,3-benzoxadiazole, 5-Methoxy-4-nitro-benzo[1,2,5]oxadiazole
| Molecular Formula | C7H5N3O4 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.1396 |
| Topological Polar Surface Area | 91.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.028 |
| Heavy Atoms | 14 |
| Complexity | 492.6406 |
Chemical Identifiers
| CAS Number | 18333-74-9 |
|---|---|
| SMILES | COC1=C(C2=NON=C2C=C1)[N+](=O)[O-] |
Product Overview
5-Methoxy-4-nitro-2,1,3-benzoxadiazole (CAS 18333-74-9), with molecular formula C7H5N3O4 and molecular weight 195.03 g/mol. IUPAC: 5-methoxy-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 1.1396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-4-nitro-2,1,3-benzoxadiazole. The TPSA of 91.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-Methoxy-4-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 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 5-Methoxy-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole is 18333-74-9.
What is the molecular formula of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole is C7H5N3O4.
What is the molecular weight of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-Methoxy-4-nitro-2,1,3-benzoxadiazole is 195.03 g/mol.
Where can I buy 5-Methoxy-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-Methoxy-4-nitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.