(5-Methoxy-3-methylisoxazol-4-yl)acetic acid
TL;DR: (5-Methoxy-3-methylisoxazol-4-yl)acetic acid (CAS 501681-36-3) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-3-methyl-1,2-oxazol-4-yl)acetic acid
Also Known As: (5-methoxy-3-methylisoxazol-4-yl)acetic acid, (5-Methoxy-3-methyl-4-isoxazolyl)acetic acid, 2-(5-methoxy-3-methyl-isoxazol-4-yl)acetic acid, 2-(5-methoxy-3-methyl-1,2-oxazol-4-yl)acetic acid, (5-METHOXY-3-METHYLISOXAZOL-4-YL)-ACETIC ACID
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 501681-36-3 |
|---|---|
| SMILES | CC1=NOC(=C1CC(=O)O)OC |
| InChIKey | DBPPPMAFJHBBGQ-UHFFFAOYSA-N |
Product Overview
(5-Methoxy-3-methylisoxazol-4-yl)acetic acid (CAS 501681-36-3), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: 2-(5-methoxy-3-methyl-1,2-oxazol-4-yl)acetic acid.
Chemical Property Profile of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid
Property Insights of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methoxy-3-methylisoxazol-4-yl)acetic acid. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methoxy-3-methylisoxazol-4-yl)acetic acid. Following Lipinski's Rule of Five, (5-Methoxy-3-methylisoxazol-4-yl)acetic acid has 1 hydrogen bond donor(s) and 5 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-Methoxy-3-methylisoxazol-4-yl)acetic acid?
The CAS number of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid is 501681-36-3.
What is the molecular formula of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid?
The molecular formula of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid is C7H9NO4.
What is the molecular weight of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid?
The molecular weight of (5-Methoxy-3-methylisoxazol-4-yl)acetic acid is 171.05 g/mol.
Where can I buy (5-Methoxy-3-methylisoxazol-4-yl)acetic acid?
You can request a quote for (5-Methoxy-3-methylisoxazol-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methoxy-3-methylisoxazol-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Methoxy-3-methylisoxazol-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.