RefChem:341386
TL;DR: RefChem:341386 (CAS 42882-42-8) is a chemical compound with molecular formula C18H28Cl2N2O and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone;dihydrochloride
Also Known As: C18H26N2O.2ClH.1/2H2O, C18-H26-N2-O.2Cl-H.1/2H2-O, Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1), 2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone dihydrochloride, ETHANONE, 2-(4-METHYL-1-PIPERAZINYL)-1-(6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-2
| Molecular Formula | C18H28Cl2N2O |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 3.23 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.15787 |
| Heavy Atoms | 23 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 42882-42-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)C2=CC3=C(CCCCC3)C=C2.Cl.Cl |
| InChIKey | LXQQMMZNIBRFLW-UHFFFAOYSA-N |
Product Overview
RefChem:341386 (CAS 42882-42-8), with molecular formula C18H28Cl2N2O and molecular weight 358.16 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone;dihydrochloride.
Chemical Property Profile of RefChem:341386
Property Insights of RefChem:341386
The XLogP value of 3.23 indicates that RefChem:341386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:341386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:341386 has 2 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 RefChem:341386?
The CAS number of RefChem:341386 is 42882-42-8.
What is the molecular formula of RefChem:341386?
The molecular formula of RefChem:341386 is C18H28Cl2N2O.
What is the molecular weight of RefChem:341386?
The molecular weight of RefChem:341386 is 358.16 g/mol.
Where can I buy RefChem:341386?
You can request a quote for RefChem:341386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.