RefChem:223064
TL;DR: RefChem:223064 (CAS 23905-01-3) is a chemical compound with molecular formula C28H31ClN2O5S and molecular weight 542.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
Also Known As: 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)piperazine oxalate, 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine; oxalic acid, Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)-, oxalate, piperazine, 1-[2-[[(4-chlorophenyl)phenylmethyl]thio]ethyl]-4-(2-methoxyphenyl)-, ethanedioate(1:1), 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine,oxalic acid
| Molecular Formula | C28H31ClN2O5S |
|---|---|
| Molecular Weight | 542.16 g/mol |
| LogP | 5.15 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.16425 |
| Heavy Atoms | 37 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 23905-01-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCSC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O |
| InChIKey | HUAMZFYWLPROBY-UHFFFAOYSA-N |
Product Overview
RefChem:223064 (CAS 23905-01-3), with molecular formula C28H31ClN2O5S and molecular weight 542.16 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.
Chemical Property Profile of RefChem:223064
Property Insights of RefChem:223064
The XLogP value of 5.15 indicates that RefChem:223064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:223064. Following Lipinski's Rule of Five, RefChem:223064 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:223064?
The CAS number of RefChem:223064 is 23905-01-3.
What is the molecular formula of RefChem:223064?
The molecular formula of RefChem:223064 is C28H31ClN2O5S.
What is the molecular weight of RefChem:223064?
The molecular weight of RefChem:223064 is 542.16 g/mol.
Where can I buy RefChem:223064?
You can request a quote for RefChem:223064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:223064?
Yes, KEHONG BIO provides custom synthesis services for RefChem:223064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.