![[4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone structure](/static/products/834/83480-37-9.png)
[4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone
TL;DR: [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone (CAS 83480-37-9) is a chemical compound with molecular formula C22H29N3O5 and molecular weight 415.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
Also Known As: [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone|[4-[3-[4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl]oxy-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone|1-(4-Benzoyl-1-piperazinyl)-3-((4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl)oxy)-2-propanol oxalate
| Molecular Formula | C22H29N3O5 |
|---|---|
| Molecular Weight | 415.21 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.21072 |
| Heavy Atoms | 30 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 83480-37-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)CO)CO |
| InChIKey | ZJGMHMJZLVWBLS-UHFFFAOYSA-N |
Product Overview
[4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone (CAS 83480-37-9), with molecular formula C22H29N3O5 and molecular weight 415.21 g/mol. IUPAC: [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone
Property Insights of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone
The XLogP value of -0.2 indicates that [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone. Following Lipinski's Rule of Five, [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone has 3 hydrogen bond donor(s) and 7 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 [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone?
The CAS number of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone is 83480-37-9.
What is the molecular formula of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone?
The molecular formula of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone is C22H29N3O5.
What is the molecular weight of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone?
The molecular weight of [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone is 415.21 g/mol.
Where can I buy [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone?
You can request a quote for [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.