Pelanserin Hydrochloride
TL;DR: Pelanserin Hydrochloride (CAS 42877-18-9) is a chemical compound with molecular formula C21H25ClN4O2 and molecular weight 400.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione;hydrochloride
Also Known As: Pelanserin hydrochloride, Pelanserin HCl, Pelanserin, Pelanserin hydrochloride [USAN], pelanserin monohydrochloride
| Molecular Formula | C21H25ClN4O2 |
|---|---|
| Molecular Weight | 400.17 g/mol |
| LogP | 2.32 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1666 |
| Heavy Atoms | 28 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 42877-18-9 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl |
| InChIKey | SXZRLCAHCIRKJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pelanserin Hydrochloride (CAS 42877-18-9), with molecular formula C21H25ClN4O2 and molecular weight 400.17 g/mol. IUPAC: 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of Pelanserin Hydrochloride
Property Insights of Pelanserin Hydrochloride
The XLogP value of 2.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pelanserin Hydrochloride. With a topological polar surface area (TPSA) of 55.9 Ų, Pelanserin Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pelanserin Hydrochloride has 2 hydrogen bond donor(s) and 4 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 Pelanserin Hydrochloride?
The CAS number of Pelanserin Hydrochloride is 42877-18-9.
What is the molecular formula of Pelanserin Hydrochloride?
The molecular formula of Pelanserin Hydrochloride is C21H25ClN4O2.
What is the molecular weight of Pelanserin Hydrochloride?
The molecular weight of Pelanserin Hydrochloride is 400.17 g/mol.
Where can I buy Pelanserin Hydrochloride?
You can request a quote for Pelanserin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pelanserin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pelanserin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.