NIOSH/DE4926500
TL;DR: NIOSH/DE4926500 (CAS 70483-68-0) is a chemical compound with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,5a,6a,6b-hexahydrooxireno[2,3-g][1,2]benzoxazole
Also Known As: NIOSH/DE4926500, Oxireno(g)-1,2-benzisoxazole, 3a,4,5,5a,6a,6b-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-, Benzisoxazole, 3a,4,5,6,7,7a-hexahydro-6,7-epoxy-3-(1-methyl-5-nitroimidazol-2-yl)-, 3a,4,5,6,7,7a-Hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-6,7-epoxide, 3-(1-methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,5a,6a,6b-hexahydrooxireno[g][1,2]benzoxazole
| Molecular Formula | C11H12N4O4 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.08585 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 70483-68-0 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NOC3C2CCC4C3O4)[N+](=O)[O-] |
| InChIKey | ZQAYPGIQWPUOJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NIOSH/DE4926500 (CAS 70483-68-0), with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,5a,6a,6b-hexahydrooxireno[2,3-g][1,2]benzoxazole.
Chemical Property Profile of NIOSH/DE4926500
Property Insights of NIOSH/DE4926500
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIOSH/DE4926500. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/DE4926500. Following Lipinski's Rule of Five, NIOSH/DE4926500 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 NIOSH/DE4926500?
The CAS number of NIOSH/DE4926500 is 70483-68-0.
What is the molecular formula of NIOSH/DE4926500?
The molecular formula of NIOSH/DE4926500 is C11H12N4O4.
What is the molecular weight of NIOSH/DE4926500?
The molecular weight of NIOSH/DE4926500 is 264.09 g/mol.
Where can I buy NIOSH/DE4926500?
You can request a quote for NIOSH/DE4926500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/DE4926500?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/DE4926500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.