4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol
TL;DR: 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol (CAS 90594-10-8) 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)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazol-7a-ol
Also Known As: 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol, 1,2-Benzisoxazol-7a(3aH)-ol, 4,5,6,7-tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-, 3-(1-methyl-5-nitro-1H-imidazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-7a(3aH)-ol, 3-(1-methyl-5-nitroimidazol-2-yl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazol-7a-ol
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 1.1 |
| 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 | 423.0 |
Chemical Identifiers
| CAS Number | 90594-10-8 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NOC3(C2CCCC3)O)[N+](=O)[O-] |
| InChIKey | FORUJWISXODSPH-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol (CAS 90594-10-8), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazol-7a-ol.
Chemical Property Profile of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol
Property Insights of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol 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 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol?
The CAS number of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol is 90594-10-8.
What is the molecular formula of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol?
The molecular formula of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol is C11H14N4O4.
What is the molecular weight of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol?
The molecular weight of 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol is 266.10 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol?
You can request a quote for 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazol-7a(3aH)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.