RefChem:331469
TL;DR: RefChem:331469 (CAS 74203-69-3) is a chemical compound with molecular formula C26H32ClF2NO3 and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-ethyl-2-(3-fluorophenyl)-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, 5-ethyl-9-(3-(fluorobenzoyl)propyl)-2-(m-fluorophenyl)-, Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate, 4-[5-Ethyl-2-(3-fluorophenyl)-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-onechloride, BUTYROPHENONE, 4-(5-ETHYL-2-(m-FLUOROPHENYL)-1,3-DIOXA-9-AZASPIRO(5.5)UNDEC-9-YL, 1-Butanone, 4-[5-ethyl-2-(3-fluorophenyl)-1,3-dioxa-9-azaspiro[5.5]undec-9-yl]-1-(4-fluorophenyl)-, hydrochloride, monohydrate
| Molecular Formula | C26H32ClF2NO3 |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 1.12 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.2039 |
| Heavy Atoms | 33 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 74203-69-3 |
|---|---|
| SMILES | CCC1COC(OC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)F.[Cl-] |
| InChIKey | QWSKKPFYSYBPDU-UHFFFAOYSA-N |
Product Overview
RefChem:331469 (CAS 74203-69-3), with molecular formula C26H32ClF2NO3 and molecular weight 479.20 g/mol. IUPAC: 4-[5-ethyl-2-(3-fluorophenyl)-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331469
Property Insights of RefChem:331469
The XLogP value of 1.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331469. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:331469 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331469 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:331469?
The CAS number of RefChem:331469 is 74203-69-3.
What is the molecular formula of RefChem:331469?
The molecular formula of RefChem:331469 is C26H32ClF2NO3.
What is the molecular weight of RefChem:331469?
The molecular weight of RefChem:331469 is 479.20 g/mol.
Where can I buy RefChem:331469?
You can request a quote for RefChem:331469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331469?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.