RefChem:331468
TL;DR: RefChem:331468 (CAS 74203-68-2) is a chemical compound with molecular formula C20H29ClFNO3 and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethyl-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-(p-fluorobenzoyl)propyl)-, hydrochloride, Butyrophenone, 4-(5-ethyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate, 4-(5-Ethyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-onechloride, BUTYROPHENONE, 4-(5-ETHYL-1,3-DIOXA-9-AZASPIRO(5.5)UNDEC-9-YL)-4'-FLUORO-, HYDRO, 1-Butanone, 4-(5-ethyl-1,3-dioxa-9-azaspiro[5.5]undec-9-yl)-1-(4-fluorophenyl)-, hydrochloride, monohydrate
| Molecular Formula | C20H29ClFNO3 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | -0.76 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.182 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 74203-68-2 |
|---|---|
| SMILES | CCC1COCOC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | VZAVBWJXFSVBFR-UHFFFAOYSA-N |
Product Overview
RefChem:331468 (CAS 74203-68-2), with molecular formula C20H29ClFNO3 and molecular weight 385.18 g/mol. IUPAC: 4-(5-ethyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331468
Property Insights of RefChem:331468
The XLogP value of -0.76 indicates that RefChem:331468 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:331468 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331468 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:331468?
The CAS number of RefChem:331468 is 74203-68-2.
What is the molecular formula of RefChem:331468?
The molecular formula of RefChem:331468 is C20H29ClFNO3.
What is the molecular weight of RefChem:331468?
The molecular weight of RefChem:331468 is 385.18 g/mol.
Where can I buy RefChem:331468?
You can request a quote for RefChem:331468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331468?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.