Prochlorperazine Edisylate
TL;DR: Prochlorperazine Edisylate (CAS 1257-78-9) is a chemical compound with molecular formula C22H30ClN3O6S3 and molecular weight 563.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid
Also Known As: Prochlorperazine edisylate, Compazine, Stemetil, Compazine syrup, prochlorperazine
| Molecular Formula | C22H30ClN3O6S3 |
|---|---|
| Molecular Weight | 563.10 g/mol |
| LogP | 3.34 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.0985 |
| Heavy Atoms | 35 |
| Complexity | 668.0 |
| Solubility | 73.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1257-78-9 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | SWOUGRBFXFILIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prochlorperazine Edisylate (CAS 1257-78-9), with molecular formula C22H30ClN3O6S3 and molecular weight 563.10 g/mol. IUPAC: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid.
Chemical Property Profile of Prochlorperazine Edisylate
Property Insights of Prochlorperazine Edisylate
The XLogP value of 3.34 indicates that Prochlorperazine Edisylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Prochlorperazine Edisylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prochlorperazine Edisylate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prochlorperazine Edisylate?
The CAS number of Prochlorperazine Edisylate is 1257-78-9.
What is the molecular formula of Prochlorperazine Edisylate?
The molecular formula of Prochlorperazine Edisylate is C22H30ClN3O6S3.
What is the molecular weight of Prochlorperazine Edisylate?
The molecular weight of Prochlorperazine Edisylate is 563.10 g/mol.
Where can I buy Prochlorperazine Edisylate?
You can request a quote for Prochlorperazine Edisylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prochlorperazine Edisylate?
Yes, KEHONG BIO provides custom synthesis services for Prochlorperazine Edisylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.