2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide
TL;DR: 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide (CAS 97872-18-9) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-enamide
Also Known As: 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide, 2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-enamide, 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-enimidic acid
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 97872-18-9 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)NC(=O)C(CC=C)C2=NOC3=CC=CC=C32 |
| InChIKey | VBSSGPIIKZXZHG-UHFFFAOYSA-N |
Product Overview
2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide (CAS 97872-18-9), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-enamide.
Chemical Property Profile of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide
Property Insights of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide
The XLogP value of 4.2 indicates that 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide 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 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide?
The CAS number of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide is 97872-18-9.
What is the molecular formula of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide?
The molecular formula of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide is C21H22N2O2.
What is the molecular weight of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide?
The molecular weight of 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide is 334.17 g/mol.
Where can I buy 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide?
You can request a quote for 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzo(d)isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.