N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
TL;DR: N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide (CAS 289630-30-4) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Also Known As: N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide, 3L-591S, N-(3,4-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide, N-(3,4-dimethylphenyl)-3,5-dimethylisoxazole-4-carboxamide, N-(3,4-dimethylphenyl)-3,5-dimethyl-isoxazole-4-carboxamide
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 289630-30-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C)C)C |
| InChIKey | DEHCNLQFKYNFFY-UHFFFAOYSA-N |
Product Overview
N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide (CAS 289630-30-4), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: N-(3,4-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
Property Insights of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.1 Ų, N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide has 1 hydrogen bond donor(s) and 3 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 N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide?
The CAS number of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide is 289630-30-4.
What is the molecular formula of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide?
The molecular formula of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide is C14H16N2O2.
What is the molecular weight of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide?
The molecular weight of N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide is 244.12 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide?
You can request a quote for N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-3,5-dimethyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.