RefChem:1075930
TL;DR: RefChem:1075930 (CAS 63990-87-4) is a chemical compound with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride
Also Known As: Acetophenone, 3'-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, hydrochloride, oxime, 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone hydrochloride oxime, ACETOPHENONE,3-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)- HCL,OXIME, 1-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride, Ethanone, 1-[3-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-, oxime, monohydrochloride
| Molecular Formula | C21H28ClN3O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | -1.9664 |
| Topological Polar Surface Area | 69.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.18192 |
| Heavy Atoms | 28 |
| Complexity | 749.57086 |
Chemical Identifiers
| CAS Number | 63990-87-4 |
|---|---|
| SMILES | C/C(=N/O)/C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O.[Cl-] |
Product Overview
RefChem:1075930 (CAS 63990-87-4), with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol. IUPAC: 1-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride.
Chemical Property Profile of RefChem:1075930
Property Insights of RefChem:1075930
The XLogP value of -1.9664 indicates that RefChem:1075930 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075930. Following Lipinski's Rule of Five, RefChem:1075930 has 3 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 RefChem:1075930?
The CAS number of RefChem:1075930 is 63990-87-4.
What is the molecular formula of RefChem:1075930?
The molecular formula of RefChem:1075930 is C21H28ClN3O3.
What is the molecular weight of RefChem:1075930?
The molecular weight of RefChem:1075930 is 405.18 g/mol.
Where can I buy RefChem:1075930?
You can request a quote for RefChem:1075930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075930?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.