3-(3-Methyl-5-isoxazolyl)alanine
TL;DR: 3-(3-Methyl-5-isoxazolyl)alanine (CAS 100959-34-0) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
Also Known As: 3-(3-methyl-5-isoxazolyl)alanine, 5-Isoxazolealanine,3-methyl-(6CI), 3-(3-Methyl-5-isoxazolyl)-L-alanine, 2-Methylthioadenosine5-monophosphate, 3-(3-Methyl-1,2-oxazol-5-yl)-L-alanine
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | -0.06258 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 281.93378 |
Chemical Identifiers
| CAS Number | 100959-34-0 |
|---|---|
| SMILES | CC1=NOC(=C1)C[C@@H](C(=O)O)N |
Product Overview
3-(3-Methyl-5-isoxazolyl)alanine (CAS 100959-34-0), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: (2S)-2-amino-3-(3-methyl-1,2-oxazol-5-yl)propanoic acid.
Chemical Property Profile of 3-(3-Methyl-5-isoxazolyl)alanine
Property Insights of 3-(3-Methyl-5-isoxazolyl)alanine
The XLogP value of -0.06258 indicates that 3-(3-Methyl-5-isoxazolyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methyl-5-isoxazolyl)alanine. Following Lipinski's Rule of Five, 3-(3-Methyl-5-isoxazolyl)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-(3-Methyl-5-isoxazolyl)alanine?
The CAS number of 3-(3-Methyl-5-isoxazolyl)alanine is 100959-34-0.
What is the molecular formula of 3-(3-Methyl-5-isoxazolyl)alanine?
The molecular formula of 3-(3-Methyl-5-isoxazolyl)alanine is C7H10N2O3.
What is the molecular weight of 3-(3-Methyl-5-isoxazolyl)alanine?
The molecular weight of 3-(3-Methyl-5-isoxazolyl)alanine is 170.07 g/mol.
Where can I buy 3-(3-Methyl-5-isoxazolyl)alanine?
You can request a quote for 3-(3-Methyl-5-isoxazolyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methyl-5-isoxazolyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-5-isoxazolyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.