曲唑酮
TL;DR: 曲唑酮 (CAS 19794-93-5) is a chemical compound with molecular formula C19H22ClN5O and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲唑酮
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: trazodone, Trazodon, Beneficat, Trazodona, Trazalon
| Molecular Formula | C19H22ClN5O |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.15128 |
| Heavy Atoms | 26 |
| Complexity | 611.0 |
| Melting Point | 231-234 |
| Boiling Point | 528.5 |
| Solubility | 2.90e-01 g/L |
Chemical Identifiers
| CAS Number | 19794-93-5 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl |
| InChIKey | PHLBKPHSAVXXEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲唑酮 (CAS 19794-93-5), with molecular formula C19H22ClN5O and molecular weight 371.15 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of 曲唑酮
Property Insights of 曲唑酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 曲唑酮. With a topological polar surface area (TPSA) of 42.4 Ų, 曲唑酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曲唑酮 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 曲唑酮?
The CAS number of 曲唑酮 is 19794-93-5.
What is the molecular formula of 曲唑酮?
The molecular formula of 曲唑酮 is C19H22ClN5O.
What is the molecular weight of 曲唑酮?
The molecular weight of 曲唑酮 is 371.15 g/mol.
Where can I buy 曲唑酮?
You can request a quote for 曲唑酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲唑酮?
Yes, KEHONG BIO provides custom synthesis services for 曲唑酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.