(2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
TL;DR: (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone (CAS 701940-17-2) is a chemical compound with molecular formula C13H16F2N2O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-difluoro-4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: (2,3-difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone, (2,3-difluoro-4-methyl-phenyl)-(4-methylpiperazin-1-yl)methanone, (2,3-difluoro-4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C13H16F2N2O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.66082 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.12306 |
| Heavy Atoms | 18 |
| Complexity | 468.3042 |
Chemical Identifiers
| CAS Number | 701940-17-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C)F)F |
Product Overview
(2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone (CAS 701940-17-2), with molecular formula C13H16F2N2O and molecular weight 254.12 g/mol. IUPAC: (2,3-difluoro-4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
Property Insights of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone
The XLogP value of 1.66082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 23.55 Ų, (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3-Difluoro-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 (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The CAS number of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is 701940-17-2.
What is the molecular formula of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The molecular formula of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is C13H16F2N2O.
What is the molecular weight of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
The molecular weight of (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone is 254.12 g/mol.
Where can I buy (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
You can request a quote for (2,3-Difluoro-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 (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Difluoro-4-methylphenyl)(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.