阿立哌唑
TL;DR: 阿立哌唑 (CAS 129722-12-9) is a chemical compound with molecular formula C23H27Cl2N3O2 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿立哌唑
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Also Known As: Aripiprazole, Abilify, Abilitat, aripiprazol, Discmelt
| Molecular Formula | C23H27Cl2N3O2 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.14804 |
| Heavy Atoms | 30 |
| Complexity | 559.0 |
| Melting Point | 137-140 |
| Boiling Point | 139.0-139.5 °C |
| Solubility | 0.00001% |
Chemical Identifiers
| CAS Number | 129722-12-9 |
|---|---|
| SMILES | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| InChIKey | CEUORZQYGODEFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿立哌唑 (CAS 129722-12-9), with molecular formula C23H27Cl2N3O2 and molecular weight 447.15 g/mol. IUPAC: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
Chemical Property Profile of 阿立哌唑
Property Insights of 阿立哌唑
The XLogP value of 4.6 indicates that 阿立哌唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 阿立哌唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿立哌唑 has 1 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 阿立哌唑?
The CAS number of 阿立哌唑 is 129722-12-9.
What is the molecular formula of 阿立哌唑?
The molecular formula of 阿立哌唑 is C23H27Cl2N3O2.
What is the molecular weight of 阿立哌唑?
The molecular weight of 阿立哌唑 is 447.15 g/mol.
Where can I buy 阿立哌唑?
You can request a quote for 阿立哌唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿立哌唑?
Yes, KEHONG BIO provides custom synthesis services for 阿立哌唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.