RefChem:226860
TL;DR: RefChem:226860 (CAS 23905-00-2) is a chemical compound with molecular formula C27H28Cl2N2O4S and molecular weight 546.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazine;oxalic acid
Also Known As: 1-(o-Chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)piperazine oxalate, 1-(2-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazine; oxalic acid, Piperazine, 1-(o-chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-, oxalate, piperazine, 1-(2-chlorophenyl)-4-[2-[[(4-chlorophenyl)phenylmethyl]thio]ethyl]-, ethanedioate(1:1), 1-(2-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazine,oxalic acid
| Molecular Formula | C27H28Cl2N2O4S |
|---|---|
| Molecular Weight | 546.11 g/mol |
| LogP | 5.79 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1147 |
| Heavy Atoms | 36 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 23905-00-2 |
|---|---|
| SMILES | C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl.C(=O)(C(=O)O)O |
| InChIKey | PANUJQHPGAYGOI-UHFFFAOYSA-N |
Product Overview
RefChem:226860 (CAS 23905-00-2), with molecular formula C27H28Cl2N2O4S and molecular weight 546.11 g/mol. IUPAC: 1-(2-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazine;oxalic acid.
Chemical Property Profile of RefChem:226860
Property Insights of RefChem:226860
The XLogP value of 5.79 indicates that RefChem:226860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:226860. Following Lipinski's Rule of Five, RefChem:226860 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:226860?
The CAS number of RefChem:226860 is 23905-00-2.
What is the molecular formula of RefChem:226860?
The molecular formula of RefChem:226860 is C27H28Cl2N2O4S.
What is the molecular weight of RefChem:226860?
The molecular weight of RefChem:226860 is 546.11 g/mol.
Where can I buy RefChem:226860?
You can request a quote for RefChem:226860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:226860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:226860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.