Iodoethylspiperone
TL;DR: Iodoethylspiperone (CAS 130482-21-2) is a chemical compound with molecular formula C25H29FIN3O2 and molecular weight 549.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: Iodoethylspiperone, 125I-Ies, Butyl aminoacetate hydrochloride, 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 8-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-3-(2-iodoethyl)-1,3,8-triazaspiro(4,5)decan-4-one
| Molecular Formula | C25H29FIN3O2 |
|---|---|
| Molecular Weight | 549.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.12885 |
| Heavy Atoms | 32 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 130482-21-2 |
|---|---|
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCI)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | RXMOSTORZPJKLO-UHFFFAOYSA-N |
Product Overview
Iodoethylspiperone (CAS 130482-21-2), with molecular formula C25H29FIN3O2 and molecular weight 549.13 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of Iodoethylspiperone
Property Insights of Iodoethylspiperone
The XLogP value of 4.3 indicates that Iodoethylspiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, Iodoethylspiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodoethylspiperone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodoethylspiperone?
The CAS number of Iodoethylspiperone is 130482-21-2.
What is the molecular formula of Iodoethylspiperone?
The molecular formula of Iodoethylspiperone is C25H29FIN3O2.
What is the molecular weight of Iodoethylspiperone?
The molecular weight of Iodoethylspiperone is 549.13 g/mol.
Where can I buy Iodoethylspiperone?
You can request a quote for Iodoethylspiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodoethylspiperone?
Yes, KEHONG BIO provides custom synthesis services for Iodoethylspiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.