(3-Isobutylisoxazol-5-yl)methanamine
TL;DR: (3-Isobutylisoxazol-5-yl)methanamine (CAS 851728-91-1) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
Also Known As: (3-Isobutylisoxazol-5-yl)methanamine, C-(3-Isobutyl-isoxazol-5-yl)-methylamine, BAS 10153993, 1-(3-isobutylisoxazol-5-yl)methanamine, 5-Isoxazolemethanamine, 3-(2-methylpropyl)-
| Molecular Formula | C8H14N2O |
|---|---|
| Molecular Weight | 154.11 g/mol |
| LogP | 1.3318 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.11061 |
| Heavy Atoms | 11 |
| Complexity | 217.62157 |
Chemical Identifiers
| CAS Number | 851728-91-1 |
|---|---|
| SMILES | CC(C)CC1=NOC(=C1)CN |
Product Overview
(3-Isobutylisoxazol-5-yl)methanamine (CAS 851728-91-1), with molecular formula C8H14N2O and molecular weight 154.11 g/mol. IUPAC: [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine.
Chemical Property Profile of (3-Isobutylisoxazol-5-yl)methanamine
Property Insights of (3-Isobutylisoxazol-5-yl)methanamine
The XLogP value of 1.3318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Isobutylisoxazol-5-yl)methanamine. With a topological polar surface area (TPSA) of 52.05 Ų, (3-Isobutylisoxazol-5-yl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Isobutylisoxazol-5-yl)methanamine 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-Isobutylisoxazol-5-yl)methanamine?
The CAS number of (3-Isobutylisoxazol-5-yl)methanamine is 851728-91-1.
What is the molecular formula of (3-Isobutylisoxazol-5-yl)methanamine?
The molecular formula of (3-Isobutylisoxazol-5-yl)methanamine is C8H14N2O.
What is the molecular weight of (3-Isobutylisoxazol-5-yl)methanamine?
The molecular weight of (3-Isobutylisoxazol-5-yl)methanamine is 154.11 g/mol.
Where can I buy (3-Isobutylisoxazol-5-yl)methanamine?
You can request a quote for (3-Isobutylisoxazol-5-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Isobutylisoxazol-5-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for (3-Isobutylisoxazol-5-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.