3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-
TL;DR: 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- (CAS 139297-40-8) is a chemical compound with molecular formula C13H13ClN2O2 and molecular weight 264.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-N-(2,6-dimethylphenyl)-1,2-oxazole-3-carboxamide
Also Known As: 5-n- oxazole-3-carboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-1,2-oxazole-3-carboxamide, 5-(Chloromethyl)-N-(2,6-dimethylphenyl)isoxazole-3-carboxamide, 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-, 5-(Chloromethyl)-N-(2,6-dimethylphenyl)-3-isoxazolecarboxamide
Technical Specifications
| Molecular Formula | C13H13ClN2O2 |
| Molecular Weight | 264.06656 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.06656 Da |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CCl |
| InChIKey | UFPWFLYHTMTGNJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-
Property Insights of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- 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
What is the CAS number of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-?
The CAS number of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- is 139297-40-8.
What is the molecular formula of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-?
The molecular formula of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- is C13H13ClN2O2.
What is the molecular weight of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-?
The molecular weight of 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- is 264.06656 g/mol.
Where can I buy 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-?
You can request a quote for 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.