Azaclorzine
TL;DR: Azaclorzine (CAS 49864-70-2) is a chemical compound with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)propan-1-one
Also Known As: Azaclorzine, Azaclorzina, Azachlorzine, Azaclorzinum, Azaclorzine [INN]
| Molecular Formula | C22H24ClN3OS |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.13287 |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 49864-70-2 |
|---|---|
| SMILES | C1CC2CN(CCN2C1)CCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
| InChIKey | ZQTOZLYOIRKCPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azaclorzine (CAS 49864-70-2), with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol. IUPAC: 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)propan-1-one.
Chemical Property Profile of Azaclorzine
Property Insights of Azaclorzine
The XLogP value of 4.0 indicates that Azaclorzine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, Azaclorzine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azaclorzine has 0 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 Azaclorzine?
The CAS number of Azaclorzine is 49864-70-2.
What is the molecular formula of Azaclorzine?
The molecular formula of Azaclorzine is C22H24ClN3OS.
What is the molecular weight of Azaclorzine?
The molecular weight of Azaclorzine is 413.13 g/mol.
Where can I buy Azaclorzine?
You can request a quote for Azaclorzine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azaclorzine?
Yes, KEHONG BIO provides custom synthesis services for Azaclorzine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.