beta-(Isoxazolin-5-on-4-yl)alanine
TL;DR: beta-(Isoxazolin-5-on-4-yl)alanine (CAS 14949-49-6) is a chemical compound with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino 3-(5-oxo-2H-1,2-oxazol-4-yl)propanoate
Also Known As: beta-(Isoxazolin-5-on-4-yl)alanine, 1H-Imidazole-5-ethanamine,a,b-dimethyl, amino 3-(5-oxo-2H-1,2-oxazol-4-yl)propanoate, 4-[3-(aminooxy)-3-oxopropyl]-1,2-oxazol-5(2h)-one, 4-Isoxazolepropanoicacid, a-amino-2,5-dihydro-5-oxo-, (aS)-
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 14949-49-6 |
|---|---|
| SMILES | C1=C(C(=O)ON1)CCC(=O)ON |
| InChIKey | JPZLPLPESYKICS-UHFFFAOYSA-N |
Product Overview
beta-(Isoxazolin-5-on-4-yl)alanine (CAS 14949-49-6), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: amino 3-(5-oxo-2H-1,2-oxazol-4-yl)propanoate.
Chemical Property Profile of beta-(Isoxazolin-5-on-4-yl)alanine
Property Insights of beta-(Isoxazolin-5-on-4-yl)alanine
The XLogP value of -0.3 indicates that beta-(Isoxazolin-5-on-4-yl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-(Isoxazolin-5-on-4-yl)alanine. Following Lipinski's Rule of Five, beta-(Isoxazolin-5-on-4-yl)alanine has 2 hydrogen bond donor(s) and 6 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 beta-(Isoxazolin-5-on-4-yl)alanine?
The CAS number of beta-(Isoxazolin-5-on-4-yl)alanine is 14949-49-6.
What is the molecular formula of beta-(Isoxazolin-5-on-4-yl)alanine?
The molecular formula of beta-(Isoxazolin-5-on-4-yl)alanine is C6H8N2O4.
What is the molecular weight of beta-(Isoxazolin-5-on-4-yl)alanine?
The molecular weight of beta-(Isoxazolin-5-on-4-yl)alanine is 172.05 g/mol.
Where can I buy beta-(Isoxazolin-5-on-4-yl)alanine?
You can request a quote for beta-(Isoxazolin-5-on-4-yl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(Isoxazolin-5-on-4-yl)alanine?
Yes, KEHONG BIO provides custom synthesis services for beta-(Isoxazolin-5-on-4-yl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.