奈法唑酮
TL;DR: 奈法唑酮 (CAS 83366-66-9) is a chemical compound with molecular formula C25H32ClN5O2 and molecular weight 469.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奈法唑酮
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Also Known As: nefazodone, Nefazodona, Nefazodonum, Nefazodone Hcl, Serzone
| Molecular Formula | C25H32ClN5O2 |
|---|---|
| Molecular Weight | 469.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.22446 |
| Heavy Atoms | 33 |
| Complexity | 649.0 |
| Melting Point | 83.5 |
| Solubility | 6.98e-02 g/L |
Chemical Identifiers
| CAS Number | 83366-66-9 |
|---|---|
| SMILES | CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl |
| InChIKey | VRBKIVRKKCLPHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奈法唑酮 (CAS 83366-66-9), with molecular formula C25H32ClN5O2 and molecular weight 469.22 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 奈法唑酮
Property Insights of 奈法唑酮
The XLogP value of 4.3 indicates that 奈法唑酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 奈法唑酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奈法唑酮 has 0 hydrogen bond donor(s) and 5 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 奈法唑酮?
The CAS number of 奈法唑酮 is 83366-66-9.
What is the molecular formula of 奈法唑酮?
The molecular formula of 奈法唑酮 is C25H32ClN5O2.
What is the molecular weight of 奈法唑酮?
The molecular weight of 奈法唑酮 is 469.22 g/mol.
Where can I buy 奈法唑酮?
You can request a quote for 奈法唑酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奈法唑酮?
Yes, KEHONG BIO provides custom synthesis services for 奈法唑酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.