RefChem:232693
TL;DR: RefChem:232693 (CAS 54981-18-9) is a chemical compound with molecular formula C24H28ClFN2O3 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;hydrochloride
Also Known As: 1-Oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)-5-phenyl-, hydrochloride, 9-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one hydrochloride(1:1), 1-(4-Fluorophenyl)-4-(2-hydroxy-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undec-2-en-9-yl)butan-1-one--hydrogen chloride (1/1), 3-[4-(4-fluorophenyl)-4-oxobutyl]-8-phenyl-11-oxa-3,9-diazaspiro[5.5]undecan-10-one hydrochloride, RefChem:232693
| Molecular Formula | C24H28ClFN2O3 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.92 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.17725 |
| Heavy Atoms | 31 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 54981-18-9 |
|---|---|
| SMILES | C1CN(CCC12CC(NC(=O)O2)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl |
| InChIKey | HCTBJOARGXIKTD-UHFFFAOYSA-N |
Product Overview
RefChem:232693 (CAS 54981-18-9), with molecular formula C24H28ClFN2O3 and molecular weight 446.18 g/mol. IUPAC: 9-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;hydrochloride.
Chemical Property Profile of RefChem:232693
Property Insights of RefChem:232693
The XLogP value of 4.92 indicates that RefChem:232693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:232693 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232693 has 2 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 RefChem:232693?
The CAS number of RefChem:232693 is 54981-18-9.
What is the molecular formula of RefChem:232693?
The molecular formula of RefChem:232693 is C24H28ClFN2O3.
What is the molecular weight of RefChem:232693?
The molecular weight of RefChem:232693 is 446.18 g/mol.
Where can I buy RefChem:232693?
You can request a quote for RefChem:232693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232693?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.