1-(3-Chlorobenzoyl)-4-isopropylpiperazine
TL;DR: 1-(3-Chlorobenzoyl)-4-isopropylpiperazine (CAS 461409-47-2) is a chemical compound with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
Also Known As: 1-(3-chlorobenzoyl)-4-isopropylpiperazine, BAS 01376102, 3-chlorophenyl 4-(methylethyl)piperazinyl ketone, AT-057/43316471, (3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
| Molecular Formula | C14H19ClN2O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.5062 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.1186 |
| Heavy Atoms | 18 |
| Complexity | 425.5571 |
Chemical Identifiers
| CAS Number | 461409-47-2 |
|---|---|
| SMILES | CC(C)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorobenzoyl)-4-isopropylpiperazine (CAS 461409-47-2), with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol. IUPAC: (3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine
Property Insights of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine
The XLogP value of 2.5062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzoyl)-4-isopropylpiperazine. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(3-Chlorobenzoyl)-4-isopropylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzoyl)-4-isopropylpiperazine has 0 hydrogen bond donor(s) and 2 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-(3-Chlorobenzoyl)-4-isopropylpiperazine?
The CAS number of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine is 461409-47-2.
What is the molecular formula of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine?
The molecular formula of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine is C14H19ClN2O.
What is the molecular weight of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine?
The molecular weight of 1-(3-Chlorobenzoyl)-4-isopropylpiperazine is 266.12 g/mol.
Where can I buy 1-(3-Chlorobenzoyl)-4-isopropylpiperazine?
You can request a quote for 1-(3-Chlorobenzoyl)-4-isopropylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzoyl)-4-isopropylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzoyl)-4-isopropylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.