1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate
TL;DR: 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate (CAS 85689-89-0) is a chemical compound with molecular formula C27H33NO5 and molecular weight 451.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate, Ethanone, 1-(4-cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate, ETHANONE, 1-(4-CYCLOPENTYLPHENYL)-2-((1-METHYLETHYL)(PHENYLMETHYL)AMINO)-, (Z)-2, benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084541
| Molecular Formula | C27H33NO5 |
|---|---|
| Molecular Weight | 451.24 g/mol |
| LogP | 2.3975 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.23587 |
| Heavy Atoms | 33 |
| Complexity | 912.7439 |
Chemical Identifiers
| CAS Number | 85689-89-0 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate (CAS 85689-89-0), with molecular formula C27H33NO5 and molecular weight 451.24 g/mol. IUPAC: benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate
Property Insights of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate
The XLogP value of 2.3975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate. Following Lipinski's Rule of Five, 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate has 2 hydrogen bond donor(s) and 4 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 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate?
The CAS number of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate is 85689-89-0.
What is the molecular formula of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate?
The molecular formula of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate is C27H33NO5.
What is the molecular weight of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate?
The molecular weight of 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate is 451.24 g/mol.
Where can I buy 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate?
You can request a quote for 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.