4-环己基-γ-氧代苯丁酸
TL;DR: 4-环己基-γ-氧代苯丁酸 (CAS 35827-51-1) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-环己基-γ-氧代苯丁酸
4-(4-cyclohexylphenyl)-4-oxobutanoic acid
Also Known As: 4-(4-cyclohexylphenyl)-4-oxobutanoic acid, 4-Cyclohexyl-gamma-oxobenzenebutyric acid, 4-Cyclohexyl-gamma-oxobenzenebutanoic acid, 3-(4-cyclohexylbenzoyl)propionic acid, Benzenebutanoic acid, 4-cyclohexyl-gamma-oxo-
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 35827-51-1 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCC(=O)O |
| InChIKey | QFDYKCAHHQKPSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-环己基-γ-氧代苯丁酸 (CAS 35827-51-1), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 4-(4-cyclohexylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-环己基-γ-氧代苯丁酸
Property Insights of 4-环己基-γ-氧代苯丁酸
The XLogP value of 4.1 indicates that 4-环己基-γ-氧代苯丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-环己基-γ-氧代苯丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-环己基-γ-氧代苯丁酸 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 4-环己基-γ-氧代苯丁酸?
The CAS number of 4-环己基-γ-氧代苯丁酸 is 35827-51-1.
What is the molecular formula of 4-环己基-γ-氧代苯丁酸?
The molecular formula of 4-环己基-γ-氧代苯丁酸 is C16H20O3.
What is the molecular weight of 4-环己基-γ-氧代苯丁酸?
The molecular weight of 4-环己基-γ-氧代苯丁酸 is 260.14 g/mol.
Where can I buy 4-环己基-γ-氧代苯丁酸?
You can request a quote for 4-环己基-γ-氧代苯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-环己基-γ-氧代苯丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-环己基-γ-氧代苯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.