Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-
TL;DR: Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- (CAS 4418-45-5) is a chemical compound with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid
Also Known As: 1-(o-Chlorobenzyl)-alpha-methyl-2-oxocyclohexanepropionic acid, Acido 2-(o-chlorobenzil)cicloessanon-2-beta-isobutirrico, Acido 2-(o-chlorobenzil)cicloessanon-2-beta-isobutirrico [Italian], Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-, 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropa
| Molecular Formula | C17H21ClO3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.11792 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4418-45-5 |
|---|---|
| SMILES | CC(CC1(CCCCC1=O)CC2=CC=CC=C2Cl)C(=O)O |
| InChIKey | WLDLYPQRSVEJCS-UHFFFAOYSA-N |
Product Overview
Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- (CAS 4418-45-5), with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol. IUPAC: 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid.
Chemical Property Profile of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-
Property Insights of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-
The XLogP value of 3.8 indicates that Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- has 1 hydrogen bond donor(s) and 3 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 Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-?
The CAS number of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- is 4418-45-5.
What is the molecular formula of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-?
The molecular formula of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- is C17H21ClO3.
What is the molecular weight of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-?
The molecular weight of Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- is 308.12 g/mol.
Where can I buy Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-?
You can request a quote for Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.