RefChem:328611
TL;DR: RefChem:328611 (CAS 63991-29-7) is a chemical compound with molecular formula C21H29ClN2O3 and molecular weight 392.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride
Also Known As: Benzyl alcohol, alpha-methyl-3-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, hydrochloride, 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride, BENZYL ALCOHOL, alpha-METHYL-3-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)-, HY, 1-Piperazineethanol, .alpha.-[[2-(1-hydroxyethyl)phenoxy]methyl]-4-phenyl-, monohydrochloride, RefChem:328611
| Molecular Formula | C21H29ClN2O3 |
|---|---|
| Molecular Weight | 392.19 g/mol |
| LogP | -2.11 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.18668 |
| Heavy Atoms | 27 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 63991-29-7 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)O.[Cl-] |
| InChIKey | OQAYOKXYIRUJCF-UHFFFAOYSA-N |
Product Overview
RefChem:328611 (CAS 63991-29-7), with molecular formula C21H29ClN2O3 and molecular weight 392.19 g/mol. IUPAC: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride.
Chemical Property Profile of RefChem:328611
Property Insights of RefChem:328611
The XLogP value of -2.11 indicates that RefChem:328611 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.4 Ų, RefChem:328611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:328611 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:328611?
The CAS number of RefChem:328611 is 63991-29-7.
What is the molecular formula of RefChem:328611?
The molecular formula of RefChem:328611 is C21H29ClN2O3.
What is the molecular weight of RefChem:328611?
The molecular weight of RefChem:328611 is 392.19 g/mol.
Where can I buy RefChem:328611?
You can request a quote for RefChem:328611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.