2-(3-Amino-3-carboxypropyl)isoxazolin-5-one
TL;DR: 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one (CAS 59476-62-9) is a chemical compound with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-oxo-1,2-oxazol-2-yl)butanoic acid
Also Known As: Acpiox, Magnesium DL-aspartate, Imidazo[1,5-a]pyridine,1-phenyl, 2-amino-4-(5-oxo-1,2-oxazol-2-yl)butanoic acid, 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one
| Molecular Formula | C7H10N2O4 |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.06406 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 59476-62-9 |
|---|---|
| SMILES | C1=CN(OC1=O)CCC(C(=O)O)N |
| InChIKey | NBBBAGCVWNMFPG-UHFFFAOYSA-N |
Product Overview
2-(3-Amino-3-carboxypropyl)isoxazolin-5-one (CAS 59476-62-9), with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol. IUPAC: 2-amino-4-(5-oxo-1,2-oxazol-2-yl)butanoic acid.
Chemical Property Profile of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one
Property Insights of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one
The XLogP value of -2.8 indicates that 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one. Following Lipinski's Rule of Five, 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one 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 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one?
The CAS number of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one is 59476-62-9.
What is the molecular formula of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one?
The molecular formula of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one is C7H10N2O4.
What is the molecular weight of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one?
The molecular weight of 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one is 186.06 g/mol.
Where can I buy 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one?
You can request a quote for 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Amino-3-carboxypropyl)isoxazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.