(3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
TL;DR: (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone (CAS 432005-06-6) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: BAS 03451187, (3-chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone, 3-chloro-4-methylphenyl 4-methylpiperazinyl ketone, AO-081/40800077, 1-(3-CHLORO-4-METHYLBENZOYL)-4-METHYLPIPERAZINE
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.03602 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 425.42767 |
Chemical Identifiers
| CAS Number | 432005-06-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)Cl |
Product Overview
(3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone (CAS 432005-06-6), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: (3-chloro-4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
Property Insights of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
The XLogP value of 2.03602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 23.55 Ų, (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone 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 (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The CAS number of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is 432005-06-6.
What is the molecular formula of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The molecular formula of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is C13H17ClN2O.
What is the molecular weight of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The molecular weight of (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is 252.10 g/mol.
Where can I buy (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
You can request a quote for (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.