RefChem:372007
TL;DR: RefChem:372007 (CAS 23905-06-8) is a chemical compound with molecular formula C26H28ClN3O4S and molecular weight 513.15 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-pyridin-2-ylpiperazine;oxalic acid
Also Known As: 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-pyridyl)piperazine oxalate, Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-pyridyl)-, oxalate, 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-pyridin-2-ylpiperazine; oxalic acid, Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-(pyridin-2-yl)piperazine (1/1), Piperazine, 1-[2-[(p-chloro-.alpha.-phenylbenzyl)thio]ethyl]-4-(2-pyridyl)-, oxalate (1:1)
| Molecular Formula | C26H28ClN3O4S |
|---|---|
| Molecular Weight | 513.15 g/mol |
| LogP | 4.54 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1489 |
| Heavy Atoms | 35 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 23905-06-8 |
|---|---|
| SMILES | C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4.C(=O)(C(=O)O)O |
| InChIKey | BAMOSUSDEKVJMK-UHFFFAOYSA-N |
Product Overview
RefChem:372007 (CAS 23905-06-8), with molecular formula C26H28ClN3O4S and molecular weight 513.15 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-pyridin-2-ylpiperazine;oxalic acid.
Chemical Property Profile of RefChem:372007
Property Insights of RefChem:372007
The XLogP value of 4.54 indicates that RefChem:372007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372007. Following Lipinski's Rule of Five, RefChem:372007 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:372007?
The CAS number of RefChem:372007 is 23905-06-8.
What is the molecular formula of RefChem:372007?
The molecular formula of RefChem:372007 is C26H28ClN3O4S.
What is the molecular weight of RefChem:372007?
The molecular weight of RefChem:372007 is 513.15 g/mol.
Where can I buy RefChem:372007?
You can request a quote for RefChem:372007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372007?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.