3-AES
TL;DR: 3-AES (CAS 125094-03-3) is a chemical compound with molecular formula C25H34Cl3FN4O2 and molecular weight 546.17316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminoethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;trihydrochloride
Also Known As: 3-AES, 3-(2-Aminoethyl)-8-(3-(4-fluorobenzoyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one, 2-(2-aminoethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one trihydrochloride, 3-(2-Aminoethyl)-8-[4-(4-Fluorophenyl)-4-Oxobutyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One Trihydrochloride, 3-(2-aminoethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one,trihydrochloride
Technical Specifications
| Molecular Formula | C25H34Cl3FN4O2 |
| Molecular Weight | 546.17316 g/mol |
| XLogP | 4.1536 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.17316 Da |
| Heavy Atoms | 35 |
| Complexity | 638.0 |
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCN)CCCC(=O)C4=CC=C(C=C4)F.Cl.Cl.Cl |
| InChIKey | ITWWVHIBRAUFLJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-AES
Property Insights of 3-AES
The XLogP value of 4.1536 indicates that 3-AES is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-AES. Following Lipinski's Rule of Five, 3-AES has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-AES?
The CAS number of 3-AES is 125094-03-3.
What is the molecular formula of 3-AES?
The molecular formula of 3-AES is C25H34Cl3FN4O2.
What is the molecular weight of 3-AES?
The molecular weight of 3-AES is 546.17316 g/mol.
Where can I buy 3-AES?
You can request a quote for 3-AES directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-AES?
Yes, CoreyChem provides custom synthesis services for 3-AES and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.