![1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone structure](/static/products/105/105807-59-8.png)
1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
TL;DR: 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone (CAS 105807-59-8) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
Also Known As: 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone, 1-(4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydrobenzo[c]isoxazol-5-yl)ethanone, 1-[4-(4-Chloro-phenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-benzo[c]isoxazol-5-yl]-ethanone, 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone, 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]ethanone
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.28062 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 718.0053 |
Chemical Identifiers
| CAS Number | 105807-59-8 |
|---|---|
| SMILES | CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)Cl |
Product Overview
1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone (CAS 105807-59-8), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone.
Chemical Property Profile of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
Property Insights of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone
The XLogP value of 3.28062 indicates that 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone has 1 hydrogen bond donor(s) and 4 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-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The CAS number of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is 105807-59-8.
What is the molecular formula of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The molecular formula of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is C17H18ClNO3.
What is the molecular weight of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
The molecular weight of 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone is 319.10 g/mol.
Where can I buy 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
You can request a quote for 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-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-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.