(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
TL;DR: (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol (CAS 113826-87-2) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
Also Known As: (3-Methyl-5-phenylisoxazol-4-yl)methanol, (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol, (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol, (3-Methyl-5-Phenyl-4-Isoxazolyl)Methanol, 4-Cyclohexylcyclohexanone
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.14232 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 420.1075 |
Chemical Identifiers
| CAS Number | 113826-87-2 |
|---|---|
| SMILES | CC1=NOC(=C1CO)C2=CC=CC=C2 |
Product Overview
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol (CAS 113826-87-2), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol.
Chemical Property Profile of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
Property Insights of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
The XLogP value of 2.14232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol. With a topological polar surface area (TPSA) of 46.26 Ų, (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol 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 (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol?
The CAS number of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol is 113826-87-2.
What is the molecular formula of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol?
The molecular formula of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol is C11H11NO2.
What is the molecular weight of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol?
The molecular weight of (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol is 189.08 g/mol.
Where can I buy (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol?
You can request a quote for (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-5-phenyl-isoxazol-4-yl)-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.