NIOSH/DE4933000
TL;DR: NIOSH/DE4933000 (CAS 90693-39-3) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 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,4,5,6,7,7a-hexahydro-1,2-benzoxazol-7-ol
Also Known As: NIOSH/DE4933000, 3a,4,5,6,7,7a-Hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7-ol, 1,2-Benzisoxazol-7-ol, 3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-, 1,2-Benzisoxazol-7-ol, 3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitroimidazol-2-yl)-, 3-(1-Methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-7-ol
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 90693-39-3 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NOC3C2CCCC3O)[N+](=O)[O-] |
| InChIKey | PSJIEPIRJBSKPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NIOSH/DE4933000 (CAS 90693-39-3), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-7-ol.
Chemical Property Profile of NIOSH/DE4933000
Property Insights of NIOSH/DE4933000
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIOSH/DE4933000. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/DE4933000. Following Lipinski's Rule of Five, NIOSH/DE4933000 has 1 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/DE4933000?
The CAS number of NIOSH/DE4933000 is 90693-39-3.
What is the molecular formula of NIOSH/DE4933000?
The molecular formula of NIOSH/DE4933000 is C11H14N4O4.
What is the molecular weight of NIOSH/DE4933000?
The molecular weight of NIOSH/DE4933000 is 266.10 g/mol.
Where can I buy NIOSH/DE4933000?
You can request a quote for NIOSH/DE4933000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/DE4933000?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/DE4933000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.