3-Methyl-5-(piperidylmethyl)isoxazole
TL;DR: 3-Methyl-5-(piperidylmethyl)isoxazole (CAS 173850-52-7) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(piperidin-1-ylmethyl)-1,2-oxazole
Also Known As: 3-methyl-5-piperidinomethylisoxazole, 3-methyl-5-(piperidylmethyl)isoxazole, 3-Methyl-5-(piperidinomethyl)isoxazole, 3-methyl-5-(piperidin-1-ylmethyl)isoxazole, 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.96892 |
| Topological Polar Surface Area | 29.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 263.6434 |
Chemical Identifiers
| CAS Number | 173850-52-7 |
|---|---|
| SMILES | CC1=NOC(=C1)CN2CCCCC2 |
Product Overview
3-Methyl-5-(piperidylmethyl)isoxazole (CAS 173850-52-7), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 3-methyl-5-(piperidin-1-ylmethyl)-1,2-oxazole.
Chemical Property Profile of 3-Methyl-5-(piperidylmethyl)isoxazole
Property Insights of 3-Methyl-5-(piperidylmethyl)isoxazole
The XLogP value of 1.96892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(piperidylmethyl)isoxazole. With a topological polar surface area (TPSA) of 29.27 Ų, 3-Methyl-5-(piperidylmethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(piperidylmethyl)isoxazole has 0 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-(piperidylmethyl)isoxazole?
The CAS number of 3-Methyl-5-(piperidylmethyl)isoxazole is 173850-52-7.
What is the molecular formula of 3-Methyl-5-(piperidylmethyl)isoxazole?
The molecular formula of 3-Methyl-5-(piperidylmethyl)isoxazole is C10H16N2O.
What is the molecular weight of 3-Methyl-5-(piperidylmethyl)isoxazole?
The molecular weight of 3-Methyl-5-(piperidylmethyl)isoxazole is 180.13 g/mol.
Where can I buy 3-Methyl-5-(piperidylmethyl)isoxazole?
You can request a quote for 3-Methyl-5-(piperidylmethyl)isoxazole 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-(piperidylmethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(piperidylmethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.