1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate
TL;DR: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate (CAS 54286-39-4) is a chemical compound with molecular formula C31H37FN4O8 and molecular weight 612.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Also Known As: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate, (E)-but-2-enedioic acid; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide, 8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide 2-butenedioate, 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide; fumaric acid, RefChem:1052648
| Molecular Formula | C31H37FN4O8 |
|---|---|
| Molecular Weight | 612.26 g/mol |
| LogP | 2.9976 |
| Topological Polar Surface Area | 148.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.2595 |
| Heavy Atoms | 44 |
| Complexity | 1324.2018 |
Chemical Identifiers
| CAS Number | 54286-39-4 |
|---|---|
| SMILES | CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O |
Product Overview
1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate (CAS 54286-39-4), with molecular formula C31H37FN4O8 and molecular weight 612.26 g/mol. IUPAC: (E)-but-2-enedioic acid;8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide.
Chemical Property Profile of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate
Property Insights of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate
The XLogP value of 2.9976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate. The TPSA of 148.95 Ų indicates high polarity, suggesting 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate?
The CAS number of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate is 54286-39-4.
What is the molecular formula of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate?
The molecular formula of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate is C31H37FN4O8.
What is the molecular weight of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate?
The molecular weight of 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate is 612.26 g/mol.
Where can I buy 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate?
You can request a quote for 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.