RefChem:217628
TL;DR: RefChem:217628 (CAS 1060-33-9) is a chemical compound with molecular formula C25H29ClFN3O3 and molecular weight 473.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
Also Known As: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-acetyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-, hydrochloride, 3-Acetyl-8-(4-(4-fluorophenyl)-4-oxobutyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane HCl, 3-acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride(1:1), 2-acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 3-Acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)
| Molecular Formula | C25H29ClFN3O3 |
|---|---|
| Molecular Weight | 473.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.18814 |
| Heavy Atoms | 33 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 1060-33-9 |
|---|---|
| SMILES | CC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl |
| InChIKey | QXQILOBXPGMTAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:217628 (CAS 1060-33-9), with molecular formula C25H29ClFN3O3 and molecular weight 473.19 g/mol. IUPAC: 3-acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
Chemical Property Profile of RefChem:217628
Property Insights of RefChem:217628
The XLogP value of 3.9 indicates that RefChem:217628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:217628. Following Lipinski's Rule of Five, RefChem:217628 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 RefChem:217628?
The CAS number of RefChem:217628 is 1060-33-9.
What is the molecular formula of RefChem:217628?
The molecular formula of RefChem:217628 is C25H29ClFN3O3.
What is the molecular weight of RefChem:217628?
The molecular weight of RefChem:217628 is 473.19 g/mol.
Where can I buy RefChem:217628?
You can request a quote for RefChem:217628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.