![1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone structure](/static/products/105/105807-60-1.png)
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
TL;DR: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone (CAS 105807-60-1) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
Also Known As: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone, 1-(6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazol-5-yl)ethanone, 1-[6-Hydroxy-3,6-dimethyl-4-(4-nitro-phenyl)-4,5,6,7-tetrahydro-benzo[c]isoxazol-5-yl]-ethanone, 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.53542 |
| Topological Polar Surface Area | 106.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 806.8884 |
Chemical Identifiers
| CAS Number | 105807-60-1 |
|---|---|
| SMILES | CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone (CAS 105807-60-1), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone.
Chemical Property Profile of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
Property Insights of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
The XLogP value of 2.53542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone. The TPSA of 106.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone. Following Lipinski's Rule of Five, 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone 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 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The CAS number of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is 105807-60-1.
What is the molecular formula of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The molecular formula of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is C17H18N2O5.
What is the molecular weight of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The molecular weight of 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is 330.12 g/mol.
Where can I buy 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
You can request a quote for 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.