RefChem:228913
TL;DR: RefChem:228913 (CAS 63377-07-1) is a chemical compound with molecular formula C18H25ClFNO3 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: 1,3-Dioxa-9-azaspiro(5.5)undecane, 9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride, 1-Butanone, 4-(1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-1-(4-fluorophenyl)-, Hydrochloride, BUTYROPHENONE, 4-(1,3-DIOXA-9-AZASPIRO(5.5)UNDEC-9-YL)-4'-FLUORO-, HYDROCHLORIDE, 4-(1,3-Dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-onechloride, 1-Butanone, 4-(1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-1-(4-fluorophenyl)-, Hydrochloride (9CI)
| Molecular Formula | C18H25ClFNO3 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1507 |
| Heavy Atoms | 24 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 63377-07-1 |
|---|---|
| SMILES | C1C[NH+](CCC12CCOCO2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | QEWCPLIKDYFAEY-UHFFFAOYSA-N |
Product Overview
RefChem:228913 (CAS 63377-07-1), with molecular formula C18H25ClFNO3 and molecular weight 357.15 g/mol. IUPAC: 4-(1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:228913
Property Insights of RefChem:228913
The XLogP value of -1.4 indicates that RefChem:228913 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:228913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228913 has 1 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:228913?
The CAS number of RefChem:228913 is 63377-07-1.
What is the molecular formula of RefChem:228913?
The molecular formula of RefChem:228913 is C18H25ClFNO3.
What is the molecular weight of RefChem:228913?
The molecular weight of RefChem:228913 is 357.15 g/mol.
Where can I buy RefChem:228913?
You can request a quote for RefChem:228913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.