RefChem:228870
TL;DR: RefChem:228870 (CAS 63377-08-2) is a chemical compound with molecular formula C19H27ClFNO3 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)butan-1-one chloride
Also Known As: 1,3-Dioxa-9-azaspiro(5.5)undecane, 5-methyl-9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride, Butyrophenone, 4'-fluoro-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, hydrochloride, 1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl, 1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl (9CI), 1-(4-fluorophenyl)-4-(7-methyl-9,11-dioxa-3-azoniaspiro[5.5]undecan-3-yl)butan-1-one chloride
| Molecular Formula | C19H27ClFNO3 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.16635 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 63377-08-2 |
|---|---|
| SMILES | CC1COCOC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | ZRKNHLCOLFLDBM-UHFFFAOYSA-N |
Product Overview
RefChem:228870 (CAS 63377-08-2), with molecular formula C19H27ClFNO3 and molecular weight 371.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)butan-1-one chloride.
Chemical Property Profile of RefChem:228870
Property Insights of RefChem:228870
The XLogP value of -1.15 indicates that RefChem:228870 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:228870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228870 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:228870?
The CAS number of RefChem:228870 is 63377-08-2.
What is the molecular formula of RefChem:228870?
The molecular formula of RefChem:228870 is C19H27ClFNO3.
What is the molecular weight of RefChem:228870?
The molecular weight of RefChem:228870 is 371.17 g/mol.
Where can I buy RefChem:228870?
You can request a quote for RefChem:228870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.