3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide
TL;DR: 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide (CAS 100454-15-7) is a chemical compound with molecular formula C12H21N3O2 and molecular weight 239.16338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-heptyl-5-methyl-1,2-oxazole-3-carbohydrazide
Also Known As: 5-Methyl-3-isoxazolecarboxylic acid 2-heptylhydrazide, 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-HEPTYLHYDRAZIDE, N'-heptyl-5-methyl-1,2-oxazole-3-carbohydrazide, N -Heptyl-5-methyl-3-isoxazolecarbohydrazide, 4-chloro-2-pyridine carboxylic acid N,N-diisopropylamide
Technical Specifications
| Molecular Formula | C12H21N3O2 |
| Molecular Weight | 239.16338 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 239.16338 Da |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
| SMILES | CCCCCCCNNC(=O)C1=NOC(=C1)C |
| InChIKey | VOLLVHDZKFCEQK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide
Property Insights of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide. Following Lipinski's Rule of Five, 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide has 2 hydrogen bond donor(s) and 4 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-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide?
The CAS number of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide is 100454-15-7.
What is the molecular formula of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide?
The molecular formula of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide is C12H21N3O2.
What is the molecular weight of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide?
The molecular weight of 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide is 239.16338 g/mol.
Where can I buy 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide?
You can request a quote for 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide?
Yes, CoreyChem provides custom synthesis services for 3-Isoxazolecarboxylic acid, 5-methyl-, 2-heptylhydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.