NCI60_022813
TL;DR: NCI60_022813 (CAS 5420-71-3) is a chemical compound with molecular formula C28H38FN3O3 and molecular weight 483.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4,4-diethoxy-4-(4-fluorophenyl)butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: NCI60_022813, 5-26-04-00109 (Beilstein Handbook Reference), 8-(4,4-Diethoxy-4-(4-fluorophenyl)butyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-3-methyl-1-phenyl-, alpha',alpha'-diethyl acetal, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-diethoxy-4-(4-fluorophenyl)butyl)-3-methyl-1-phenyl-
| Molecular Formula | C28H38FN3O3 |
|---|---|
| Molecular Weight | 483.29 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.28973 |
| Heavy Atoms | 35 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 5420-71-3 |
|---|---|
| SMILES | CCOC(CCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4=CC=C(C=C4)F)OCC |
| InChIKey | FJBKNVOIDNHJQL-UHFFFAOYSA-N |
Product Overview
NCI60_022813 (CAS 5420-71-3), with molecular formula C28H38FN3O3 and molecular weight 483.29 g/mol. IUPAC: 8-[4,4-diethoxy-4-(4-fluorophenyl)butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of NCI60_022813
Property Insights of NCI60_022813
The XLogP value of 4.5 indicates that NCI60_022813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, NCI60_022813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_022813 has 0 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 NCI60_022813?
The CAS number of NCI60_022813 is 5420-71-3.
What is the molecular formula of NCI60_022813?
The molecular formula of NCI60_022813 is C28H38FN3O3.
What is the molecular weight of NCI60_022813?
The molecular weight of NCI60_022813 is 483.29 g/mol.
Where can I buy NCI60_022813?
You can request a quote for NCI60_022813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_022813?
Yes, KEHONG BIO provides custom synthesis services for NCI60_022813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.