1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol
TL;DR: 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol (CAS 329227-77-2) is a chemical compound with molecular formula C13H26N2O3 and molecular weight 258.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-butoxy-2-hydroxypropyl)piperazin-1-yl]ethanone
Also Known As: BAS 02937516, 1-(4-acetyl-1-piperazinyl)-3-butoxy-2-propanol, 1-[4-(3-butoxy-2-hydroxypropyl)piperazin-1-yl]ethanone, AB00108052-01, AP-083/15505016
| Molecular Formula | C13H26N2O3 |
|---|---|
| Molecular Weight | 258.19 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.19434 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 329227-77-2 |
|---|---|
| SMILES | CCCCOCC(CN1CCN(CC1)C(=O)C)O |
| InChIKey | AHGIYOMXVURRRU-UHFFFAOYSA-N |
Product Overview
1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol (CAS 329227-77-2), with molecular formula C13H26N2O3 and molecular weight 258.19 g/mol. IUPAC: 1-[4-(3-butoxy-2-hydroxypropyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol
Property Insights of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol. With a topological polar surface area (TPSA) of 53.0 Ų, 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol has 1 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 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol?
The CAS number of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol is 329227-77-2.
What is the molecular formula of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol?
The molecular formula of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol is C13H26N2O3.
What is the molecular weight of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol?
The molecular weight of 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol is 258.19 g/mol.
Where can I buy 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol?
You can request a quote for 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.