Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide
TL;DR: Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide (CAS 76239-56-0) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)phenyl]methanol
Also Known As: 2-Chloro-4-(4-methyl-1-piperazinyl)benzenemethanol N-oxide, Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide, [2-chloro-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)phenyl]methanol, [2-Chloro-4-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)phenyl]methanol, RefChem:324907
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.5967 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 399.49216 |
Chemical Identifiers
| CAS Number | 76239-56-0 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2=CC(=C(C=C2)CO)Cl)[O-] |
Product Overview
Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide (CAS 76239-56-0), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: [2-chloro-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)phenyl]methanol.
Chemical Property Profile of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide
Property Insights of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide
The XLogP value of 1.5967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide. With a topological polar surface area (TPSA) of 46.53 Ų, Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide has 1 hydrogen bond donor(s) and 3 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 Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide?
The CAS number of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide is 76239-56-0.
What is the molecular formula of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide?
The molecular formula of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide is C12H17ClN2O2.
What is the molecular weight of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide?
The molecular weight of Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide is 256.10 g/mol.
Where can I buy Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide?
You can request a quote for Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.