![3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one structure](/static/products/1378/137885-46-2.webp)
3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
TL;DR: 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one (CAS 137885-46-2) is a chemical compound with molecular formula C11H15ClN4O and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
Also Known As: 3-chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one, 2-[4-(3-chloropropanoyl)piperazin-1-yl]pyrimidine, 3-chloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one, 1-propanone, 3-chloro-1-[4-(2-pyrimidinyl)-1-piperazinyl]-
| Molecular Formula | C11H15ClN4O |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 0.7541 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09344 |
| Heavy Atoms | 17 |
| Complexity | 364.994 |
Chemical Identifiers
| CAS Number | 137885-46-2 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)CCCl |
Product Overview
3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one (CAS 137885-46-2), with molecular formula C11H15ClN4O and molecular weight 254.09 g/mol. IUPAC: 3-chloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
Property Insights of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
The XLogP value of 0.7541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one. With a topological polar surface area (TPSA) of 49.33 Ų, 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one 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-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The CAS number of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one is 137885-46-2.
What is the molecular formula of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The molecular formula of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one is C11H15ClN4O.
What is the molecular weight of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The molecular weight of 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one is 254.09 g/mol.
Where can I buy 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one?
You can request a quote for 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.