Hydroxynefazodone
TL;DR: Hydroxynefazodone (CAS 5465-10-1) is a chemical compound with molecular formula C25H32ClN5O3 and molecular weight 485.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Also Known As: Hydroxynefazodone, PDSP1_001801, PDSP2_001784, 2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-2,4-dihydro-3h-1,2,4-triazol-3-one, 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
| Molecular Formula | C25H32ClN5O3 |
|---|---|
| Molecular Weight | 485.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.21936 |
| Heavy Atoms | 34 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 5465-10-1 |
|---|---|
| SMILES | CC(C1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=C(C=C4)Cl)O |
| InChIKey | PPJRQXMDFSRWFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxynefazodone (CAS 5465-10-1), with molecular formula C25H32ClN5O3 and molecular weight 485.22 g/mol. IUPAC: 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one.
Chemical Property Profile of Hydroxynefazodone
Property Insights of Hydroxynefazodone
The XLogP value of 3.6 indicates that Hydroxynefazodone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxynefazodone. Following Lipinski's Rule of Five, Hydroxynefazodone has 1 hydrogen bond donor(s) and 6 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 Hydroxynefazodone?
The CAS number of Hydroxynefazodone is 5465-10-1.
What is the molecular formula of Hydroxynefazodone?
The molecular formula of Hydroxynefazodone is C25H32ClN5O3.
What is the molecular weight of Hydroxynefazodone?
The molecular weight of Hydroxynefazodone is 485.22 g/mol.
Where can I buy Hydroxynefazodone?
You can request a quote for Hydroxynefazodone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxynefazodone?
Yes, KEHONG BIO provides custom synthesis services for Hydroxynefazodone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.