3-(5-oxoisoxazolin-2-yl)-L-alanine
TL;DR: 3-(5-oxoisoxazolin-2-yl)-L-alanine (CAS 59476-61-8) 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.
(2S)-2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid
Also Known As: BIOYA, (Isoxazolin-5-on-2-yl)alanine, 3-(5-oxoisoxazolin-2-yl)-L-alanine, beta-(Isoxazolin-5-on-2-yl)alanine, (Isoxazolin-5-on-2-yl)-L-alanine
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -1.1468 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 326.28912 |
Chemical Identifiers
| CAS Number | 59476-61-8 |
|---|---|
| SMILES | C1=CN(OC1=O)C[C@@H](C(=O)O)N |
Product Overview
3-(5-oxoisoxazolin-2-yl)-L-alanine (CAS 59476-61-8), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: (2S)-2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid.
Chemical Property Profile of 3-(5-oxoisoxazolin-2-yl)-L-alanine
Property Insights of 3-(5-oxoisoxazolin-2-yl)-L-alanine
The XLogP value of -1.1468 indicates that 3-(5-oxoisoxazolin-2-yl)-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-oxoisoxazolin-2-yl)-L-alanine. Following Lipinski's Rule of Five, 3-(5-oxoisoxazolin-2-yl)-L-alanine has 2 hydrogen bond donor(s) and 4 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-(5-oxoisoxazolin-2-yl)-L-alanine?
The CAS number of 3-(5-oxoisoxazolin-2-yl)-L-alanine is 59476-61-8.
What is the molecular formula of 3-(5-oxoisoxazolin-2-yl)-L-alanine?
The molecular formula of 3-(5-oxoisoxazolin-2-yl)-L-alanine is C6H8N2O4.
What is the molecular weight of 3-(5-oxoisoxazolin-2-yl)-L-alanine?
The molecular weight of 3-(5-oxoisoxazolin-2-yl)-L-alanine is 172.05 g/mol.
Where can I buy 3-(5-oxoisoxazolin-2-yl)-L-alanine?
You can request a quote for 3-(5-oxoisoxazolin-2-yl)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-oxoisoxazolin-2-yl)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-oxoisoxazolin-2-yl)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.