N-allyl-5-phenyl-3-isoxazolecarboxamide
TL;DR: N-allyl-5-phenyl-3-isoxazolecarboxamide (CAS 725697-89-2) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide
Also Known As: N-allyl-5-phenyl-3-isoxazolecarboxamide, BAS 09529711, 5-Phenyl-isoxazole-3-carboxylic acid allylamide, 5-phenyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide, (5-phenylisoxazol-3-yl)-N-prop-2-enylcarboxamide
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.2574 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 517.2255 |
Chemical Identifiers
| CAS Number | 725697-89-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=NOC(=C1)C2=CC=CC=C2 |
Product Overview
N-allyl-5-phenyl-3-isoxazolecarboxamide (CAS 725697-89-2), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 5-phenyl-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-allyl-5-phenyl-3-isoxazolecarboxamide
Property Insights of N-allyl-5-phenyl-3-isoxazolecarboxamide
The XLogP value of 2.2574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-5-phenyl-3-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-allyl-5-phenyl-3-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-5-phenyl-3-isoxazolecarboxamide 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
Frequently Asked Questions
What is the CAS number of N-allyl-5-phenyl-3-isoxazolecarboxamide?
The CAS number of N-allyl-5-phenyl-3-isoxazolecarboxamide is 725697-89-2.
What is the molecular formula of N-allyl-5-phenyl-3-isoxazolecarboxamide?
The molecular formula of N-allyl-5-phenyl-3-isoxazolecarboxamide is C13H12N2O2.
What is the molecular weight of N-allyl-5-phenyl-3-isoxazolecarboxamide?
The molecular weight of N-allyl-5-phenyl-3-isoxazolecarboxamide is 228.09 g/mol.
Where can I buy N-allyl-5-phenyl-3-isoxazolecarboxamide?
You can request a quote for N-allyl-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-allyl-5-phenyl-3-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-5-phenyl-3-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.