RefChem:372006
TL;DR: RefChem:372006 (CAS 23904-98-5) is a chemical compound with molecular formula C26H33ClN2O9S and molecular weight 584.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid
Also Known As: Flupentixol EP Impurity A, KST-1B2142, 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)piperazine dioxalate, 1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol; oxalic acid, 1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid
| Molecular Formula | C26H33ClN2O9S |
|---|---|
| Molecular Weight | 584.16 g/mol |
| LogP | 2.47 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.15955 |
| Heavy Atoms | 39 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 23904-98-5 |
|---|---|
| SMILES | CC(CN1CCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | QPAXGZSTUKCJSK-UHFFFAOYSA-N |
Product Overview
RefChem:372006 (CAS 23904-98-5), with molecular formula C26H33ClN2O9S and molecular weight 584.16 g/mol. IUPAC: 1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid.
Chemical Property Profile of RefChem:372006
Property Insights of RefChem:372006
The XLogP value of 2.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372006. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:372006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:372006 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372006?
The CAS number of RefChem:372006 is 23904-98-5.
What is the molecular formula of RefChem:372006?
The molecular formula of RefChem:372006 is C26H33ClN2O9S.
What is the molecular weight of RefChem:372006?
The molecular weight of RefChem:372006 is 584.16 g/mol.
Where can I buy RefChem:372006?
You can request a quote for RefChem:372006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372006?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.