![3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid structure](/static/products/3680/3680-69-1.webp)
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
TL;DR: 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (CAS 3680-69-1) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
Also Known As: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid, 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid, 3-(3,5-Dimethyl-isoxazol-4-ylmethoxy)-benzoic acid, 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine, 3-[(3,5-Dimethyl-4-isoxazolyl)methoxy]benzoic acid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 3680-69-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)O |
| InChIKey | NSODFQJPVJFTLK-UHFFFAOYSA-N |
Product Overview
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (CAS 3680-69-1), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid.
Chemical Property Profile of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
Property Insights of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid. Following Lipinski's Rule of Five, 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic 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 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The CAS number of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is 3680-69-1.
What is the molecular formula of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The molecular formula of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is C13H13NO4.
What is the molecular weight of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The molecular weight of 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is 247.08 g/mol.
Where can I buy 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
You can request a quote for 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.