(3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone
TL;DR: (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone (CAS 478031-52-6) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
Also Known As: (3,5-dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone, 3L-551S, (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone, (3,5-dimethylisoxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone, 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenylpiperazine
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 2.25384 |
| Topological Polar Surface Area | 49.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 608.72656 |
Chemical Identifiers
| CAS Number | 478031-52-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
(3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone (CAS 478031-52-6), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone
Property Insights of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone
The XLogP value of 2.25384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone. With a topological polar surface area (TPSA) of 49.58 Ų, (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone has 0 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 (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone?
The CAS number of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone is 478031-52-6.
What is the molecular formula of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone?
The molecular formula of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone is C16H19N3O2.
What is the molecular weight of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone?
The molecular weight of (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone is 285.15 g/mol.
Where can I buy (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone?
You can request a quote for (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.