N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 441291-83-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: ChemDiv1_005228, BAS 07339417, N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, SDCCGMLS-0037972.P002, N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.00652 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 620.85583 |
Chemical Identifiers
| CAS Number | 441291-83-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)OCCO3 |
Product Overview
N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 441291-83-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 2.00652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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 N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 441291-83-4.
What is the molecular formula of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C13H12N2O4.
What is the molecular weight of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 260.08 g/mol.
Where can I buy N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-3-isoxazolyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.