RefChem:331443
TL;DR: RefChem:331443 (CAS 74203-70-6) is a chemical compound with molecular formula C26H32Cl2FNO3 and molecular weight 495.17432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-chlorophenyl)-5-ethyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: Butyrophenone, 4-(2-(p-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate, 4-[2-(4-Chlorophenyl)-5-ethyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-onechloride, BUTYROPHENONE, 4-(2-(p-CHLOROPHENYL)-5-ETHYL-1,3-DIOXA-9-AZASPIRO(5.5)UNDEC-9-YL, 1-Butanone, 4-[2-(4-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undec-9-yl]-1-(4-fluorophenyl)-, hydrochloride, monohydrate, 4-[10-(4-chlorophenyl)-7-ethyl-9,11-dioxa-3-azoniaspiro[5.5]undecan-3-yl]-1-(4-fluorophenyl)butan-1-one chloride
Technical Specifications
| Molecular Formula | C26H32Cl2FNO3 |
| Molecular Weight | 495.17432 g/mol |
| XLogP | 1.64 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.17432 Da |
| Heavy Atoms | 33 |
| Complexity | 596.0 |
| SMILES | CCC1COC(OC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl.[Cl-] |
| InChIKey | GWZZEPRIQHQFGE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331443
Property Insights of RefChem:331443
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331443. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:331443 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331443 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
What is the CAS number of RefChem:331443?
The CAS number of RefChem:331443 is 74203-70-6.
What is the molecular formula of RefChem:331443?
The molecular formula of RefChem:331443 is C26H32Cl2FNO3.
What is the molecular weight of RefChem:331443?
The molecular weight of RefChem:331443 is 495.17432 g/mol.
Where can I buy RefChem:331443?
You can request a quote for RefChem:331443 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331443?
Yes, CoreyChem provides custom synthesis services for RefChem:331443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.