1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol
TL;DR: 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol (CAS 445458-58-2) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cycloheptan-1-ol
Also Known As: 1-(3-methyl-5-phenyl-4-isoxazolyl)cycloheptanol, AM-970/41069545, 1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cycloheptan-1-ol
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.19182 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 565.93085 |
Chemical Identifiers
| CAS Number | 445458-58-2 |
|---|---|
| SMILES | CC1=NOC(=C1C2(CCCCCC2)O)C3=CC=CC=C3 |
Product Overview
1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol (CAS 445458-58-2), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: 1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cycloheptan-1-ol.
Chemical Property Profile of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol
Property Insights of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol
The XLogP value of 4.19182 indicates that 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.26 Ų, 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol has 1 hydrogen bond donor(s) and 3 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-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol?
The CAS number of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol is 445458-58-2.
What is the molecular formula of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol?
The molecular formula of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol is C17H21NO2.
What is the molecular weight of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol?
The molecular weight of 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol is 271.16 g/mol.
Where can I buy 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol?
You can request a quote for 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-5-phenyl-4-isoxazolyl)cycloheptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.