RefChem:233891
TL;DR: RefChem:233891 (CAS 42882-65-5) is a chemical compound with molecular formula C18H30Cl2N2O and molecular weight 360.17 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)ethanol;dihydrochloride
Also Known As: 1-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)-2-(4-methylpiperazino)ethanol dihydrochloride, 4-Methyl-alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-1-piperazineethanol 2HCl, 1-Piperazineethanol, 4-methyl-alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, dihydrochloride, 2-(4-Methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethan-1-ol--hydrogen chloride (1/2), 2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol dihydrochloride
| Molecular Formula | C18H30Cl2N2O |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 3.0799 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.17352 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 42882-65-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC(C2=CC3=C(CCCCC3)C=C2)O.Cl.Cl |
| InChIKey | AYQZWSCSRXBJMS-UHFFFAOYSA-N |
Product Overview
RefChem:233891 (CAS 42882-65-5), with molecular formula C18H30Cl2N2O and molecular weight 360.17 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol;dihydrochloride.
Chemical Property Profile of RefChem:233891
Property Insights of RefChem:233891
The XLogP value of 3.0799 indicates that RefChem:233891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, RefChem:233891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233891 has 3 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:233891?
The CAS number of RefChem:233891 is 42882-65-5.
What is the molecular formula of RefChem:233891?
The molecular formula of RefChem:233891 is C18H30Cl2N2O.
What is the molecular weight of RefChem:233891?
The molecular weight of RefChem:233891 is 360.17 g/mol.
Where can I buy RefChem:233891?
You can request a quote for RefChem:233891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.