N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide (CAS 712348-16-8) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
Also Known As: BAS 09529722, N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide, AN-329/43211330, 5-Phenyl-isoxazole-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.0003 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 873.7351 |
Chemical Identifiers
| CAS Number | 712348-16-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide (CAS 712348-16-8), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide
The XLogP value of 3.0003 indicates that N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide 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-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide is 712348-16-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide is C18H14N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide is 322.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.