Prochlorperazine hydrogen methanesulfonate
TL;DR: Prochlorperazine hydrogen methanesulfonate (CAS 3111-70-4) is a chemical compound with molecular formula C21H28ClN3O3S2 and molecular weight 469.13 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;methanesulfonic acid
Also Known As: Prochlorperazine mesylate, Prochlorperazine hydrogen methanesulfonate, Trichloroethoxytitanium, PROCHLORPERAZINEMESYLATE, Prochlorperazine monomethanesulphonate
| Molecular Formula | C21H28ClN3O3S2 |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 4.08 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.12607 |
| Heavy Atoms | 30 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 3111-70-4 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O |
| InChIKey | WLFCZUKGFJNFQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prochlorperazine hydrogen methanesulfonate (CAS 3111-70-4), with molecular formula C21H28ClN3O3S2 and molecular weight 469.13 g/mol. IUPAC: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;methanesulfonic acid.
Chemical Property Profile of Prochlorperazine hydrogen methanesulfonate
Property Insights of Prochlorperazine hydrogen methanesulfonate
The XLogP value of 4.08 indicates that Prochlorperazine hydrogen methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Prochlorperazine hydrogen methanesulfonate. Following Lipinski's Rule of Five, Prochlorperazine hydrogen methanesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prochlorperazine hydrogen methanesulfonate?
The CAS number of Prochlorperazine hydrogen methanesulfonate is 3111-70-4.
What is the molecular formula of Prochlorperazine hydrogen methanesulfonate?
The molecular formula of Prochlorperazine hydrogen methanesulfonate is C21H28ClN3O3S2.
What is the molecular weight of Prochlorperazine hydrogen methanesulfonate?
The molecular weight of Prochlorperazine hydrogen methanesulfonate is 469.13 g/mol.
Where can I buy Prochlorperazine hydrogen methanesulfonate?
You can request a quote for Prochlorperazine hydrogen methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prochlorperazine hydrogen methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Prochlorperazine hydrogen methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.