5-(3-Aminopropyl)isoxazole
TL;DR: 5-(3-Aminopropyl)isoxazole (CAS 122018-86-4) is a chemical compound with molecular formula C1=C(ON=C1)CCCN and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2-oxazol-5-yl)propan-1-amine
Also Known As: 5-(3-Aminopropyl)isoxazole, 5-Apix, 5-Isoxazolepropanamine, 3-(1,2-oxazol-5-yl)propan-1-amine, 3-(Isoxazol-5-yl)propan-1-amine
| Molecular Formula | C1=C(ON=C1)CCCN |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 122018-86-4 |
|---|---|
| SMILES | C1=C(ON=C1)CCCN |
| InChIKey | LDEFHFXOOAGLDY-UHFFFAOYSA-N |
Product Overview
5-(3-Aminopropyl)isoxazole (CAS 122018-86-4), with molecular formula C1=C(ON=C1)CCCN and molecular weight 126.08 g/mol. IUPAC: 3-(1,2-oxazol-5-yl)propan-1-amine.
Chemical Property Profile of 5-(3-Aminopropyl)isoxazole
Property Insights of 5-(3-Aminopropyl)isoxazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Aminopropyl)isoxazole. With a topological polar surface area (TPSA) of 52.1 Ų, 5-(3-Aminopropyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Aminopropyl)isoxazole 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 5-(3-Aminopropyl)isoxazole?
The CAS number of 5-(3-Aminopropyl)isoxazole is 122018-86-4.
What is the molecular formula of 5-(3-Aminopropyl)isoxazole?
The molecular formula of 5-(3-Aminopropyl)isoxazole is C1=C(ON=C1)CCCN.
What is the molecular weight of 5-(3-Aminopropyl)isoxazole?
The molecular weight of 5-(3-Aminopropyl)isoxazole is 126.08 g/mol.
Where can I buy 5-(3-Aminopropyl)isoxazole?
You can request a quote for 5-(3-Aminopropyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Aminopropyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Aminopropyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.