氯氮平
TL;DR: 氯氮平 (CAS 5786-21-0) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯氮平
3-phenyl-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-1-one
Also Known As: 1,1'-piperazine-1,4-diylbis(3-phenylpropan-1-one), KST-1B5820, 3-phenyl-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-1-one, 1,4-bis(3-phenylpropanoyl)piperazine, Piperazine, 1,4-bis(1-oxo-3-phenylpropyl)-
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 5786-21-0 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3 |
| InChIKey | LIGDKQIXNVXLRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯氮平 (CAS 5786-21-0), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 3-phenyl-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-1-one.
Chemical Property Profile of 氯氮平
Property Insights of 氯氮平
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯氮平. With a topological polar surface area (TPSA) of 40.6 Ų, 氯氮平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯氮平 has 0 hydrogen bond donor(s) and 2 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 氯氮平?
The CAS number of 氯氮平 is 5786-21-0.
What is the molecular formula of 氯氮平?
The molecular formula of 氯氮平 is C22H26N2O2.
What is the molecular weight of 氯氮平?
The molecular weight of 氯氮平 is 350.20 g/mol.
Where can I buy 氯氮平?
You can request a quote for 氯氮平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯氮平?
Yes, KEHONG BIO provides custom synthesis services for 氯氮平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.