3,5-二甲基异噁唑-4-甲酸
TL;DR: 3,5-二甲基异噁唑-4-甲酸 (CAS 2510-36-3) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基异噁唑-4-甲酸
3,5-dimethyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3,5-Dimethylisoxazole-4-carboxylic acid, 3,5-Dimethylisoxasole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, akos pao-1555, dimethyl-1,2-oxazole-4-carboxylic acid
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 2510-36-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)O |
| InChIKey | IJEUISLJVBUNRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基异噁唑-4-甲酸 (CAS 2510-36-3), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3,5-二甲基异噁唑-4-甲酸
Property Insights of 3,5-二甲基异噁唑-4-甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基异噁唑-4-甲酸. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二甲基异噁唑-4-甲酸. Following Lipinski's Rule of Five, 3,5-二甲基异噁唑-4-甲酸 has 1 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 3,5-二甲基异噁唑-4-甲酸?
The CAS number of 3,5-二甲基异噁唑-4-甲酸 is 2510-36-3.
What is the molecular formula of 3,5-二甲基异噁唑-4-甲酸?
The molecular formula of 3,5-二甲基异噁唑-4-甲酸 is C6H7NO3.
What is the molecular weight of 3,5-二甲基异噁唑-4-甲酸?
The molecular weight of 3,5-二甲基异噁唑-4-甲酸 is 141.04 g/mol.
Where can I buy 3,5-二甲基异噁唑-4-甲酸?
You can request a quote for 3,5-二甲基异噁唑-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基异噁唑-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基异噁唑-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.