RefChem:331471
TL;DR: RefChem:331471 (CAS 63377-12-8) is a chemical compound with molecular formula C23H32FNO7 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate
Also Known As: Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate, 1,3-Dioxa-9-azaspiro(5.5)undecane, 5-ethyl-9-(3-(p-fluorobenzoyl)propyl)-2-methyl-, oxalate, Methyl-2 ethyl-5 (fluoro-4'-benzoyl)-3 propyl-9 dioxa-1,3 aza-9 spiro(5.5)undecane oxalate, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate, 1-Butanone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro[5.5]undec-9-yl)-1-(4-fluorophenyl)-, ethanedioate (1:1)
| Molecular Formula | C23H32FNO7 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 0.45 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.21628 |
| Heavy Atoms | 32 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 63377-12-8 |
|---|---|
| SMILES | CCC1COC(OC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C.C(=O)(C(=O)[O-])O |
| InChIKey | IECQVCNPHZYEGL-UHFFFAOYSA-N |
Product Overview
RefChem:331471 (CAS 63377-12-8), with molecular formula C23H32FNO7 and molecular weight 453.22 g/mol. IUPAC: 4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:331471
Property Insights of RefChem:331471
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331471. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331471. Following Lipinski's Rule of Five, RefChem:331471 has 2 hydrogen bond donor(s) and 8 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:331471?
The CAS number of RefChem:331471 is 63377-12-8.
What is the molecular formula of RefChem:331471?
The molecular formula of RefChem:331471 is C23H32FNO7.
What is the molecular weight of RefChem:331471?
The molecular weight of RefChem:331471 is 453.22 g/mol.
Where can I buy RefChem:331471?
You can request a quote for RefChem:331471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331471?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.