5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide
TL;DR: 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide (CAS 1085-32-1) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide
Also Known As: N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide, 3-Methylisoxazole-5-carboxylic acid 2-benzyl hydrazide, 5-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, 2-BENZYLHYDRAZIDE, N'-Benzyl-3-methylisoxazole-5-carbohydrazide, 1-Benzyl-2-(3-methylisoxazol-5-yl)-carbonyl hydrazine
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1085-32-1 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)NNCC2=CC=CC=C2 |
| InChIKey | SZOGVNNFYRYSLY-UHFFFAOYSA-N |
Product Overview
5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide (CAS 1085-32-1), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide.
Chemical Property Profile of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide
Property Insights of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide. Following Lipinski's Rule of Five, 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide 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
Frequently Asked Questions
What is the CAS number of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide?
The CAS number of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide is 1085-32-1.
What is the molecular formula of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide?
The molecular formula of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide is C12H13N3O2.
What is the molecular weight of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide?
The molecular weight of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide is 231.10 g/mol.
Where can I buy 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide?
You can request a quote for 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.