RefChem:1077904
TL;DR: RefChem:1077904 (CAS 61734-21-2) is a chemical compound with molecular formula C21H28Cl3N3O and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-chlorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]ethoxy]methanimine;dihydrochloride
Also Known As: trans-O-(2-(4-Phenethyl-1-piperazinyl)ethyl) 4-chlorobenzaldoxime dihydrochloride, Benzaldehyde, p-chloro-, O-(2-(4-phenethyl-1-piperazinyl)ethyl)oxime, dihydrochloride, (E)-, BENZALDEHYDE, p-CHLORO-, O-(2-(4-PHENETHYL-1-PIPERAZINYL)ETHYL)OXIME, DIHYDROCHL, RefChem:1077904
| Molecular Formula | C21H28Cl3N3O |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.3944 |
| Topological Polar Surface Area | 28.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1298 |
| Heavy Atoms | 28 |
| Complexity | 675.055 |
Chemical Identifiers
| CAS Number | 61734-21-2 |
|---|---|
| SMILES | C1CN(CCN1CCC2=CC=CC=C2)CCO/N=C/C3=CC=C(C=C3)Cl.Cl.Cl |
Product Overview
RefChem:1077904 (CAS 61734-21-2), with molecular formula C21H28Cl3N3O and molecular weight 443.13 g/mol. IUPAC: (E)-1-(4-chlorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]ethoxy]methanimine;dihydrochloride.
Chemical Property Profile of RefChem:1077904
Property Insights of RefChem:1077904
The XLogP value of 4.3944 indicates that RefChem:1077904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.07 Ų, RefChem:1077904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077904 has 0 hydrogen bond donor(s) and 4 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:1077904?
The CAS number of RefChem:1077904 is 61734-21-2.
What is the molecular formula of RefChem:1077904?
The molecular formula of RefChem:1077904 is C21H28Cl3N3O.
What is the molecular weight of RefChem:1077904?
The molecular weight of RefChem:1077904 is 443.13 g/mol.
Where can I buy RefChem:1077904?
You can request a quote for RefChem:1077904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077904?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.