盐酸氯哌酮
TL;DR: 盐酸氯哌酮 (CAS 525-26-8) is a chemical compound with molecular formula C21H24Cl2N4O2 and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸氯哌酮
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride
Also Known As: Cloperidone HCl, CLOPERIDONE HYDROCHLORIDE, Cloperidone hydrochloride [USAN], 4-BROMOPHENYLUREA, MA 1337
| Molecular Formula | C21H24Cl2N4O2 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.12762 |
| Heavy Atoms | 29 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 525-26-8 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl.Cl |
| InChIKey | QUGOVTRSGWYKSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
盐酸氯哌酮 (CAS 525-26-8), with molecular formula C21H24Cl2N4O2 and molecular weight 434.13 g/mol. IUPAC: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of 盐酸氯哌酮
Property Insights of 盐酸氯哌酮
The XLogP value of 2.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 盐酸氯哌酮. With a topological polar surface area (TPSA) of 55.9 Ų, 盐酸氯哌酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 盐酸氯哌酮 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 盐酸氯哌酮?
The CAS number of 盐酸氯哌酮 is 525-26-8.
What is the molecular formula of 盐酸氯哌酮?
The molecular formula of 盐酸氯哌酮 is C21H24Cl2N4O2.
What is the molecular weight of 盐酸氯哌酮?
The molecular weight of 盐酸氯哌酮 is 434.13 g/mol.
Where can I buy 盐酸氯哌酮?
You can request a quote for 盐酸氯哌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸氯哌酮?
Yes, KEHONG BIO provides custom synthesis services for 盐酸氯哌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.