4-(对环己基苯甲酰基)丁酸
TL;DR: 4-(对环己基苯甲酰基)丁酸 (CAS 99414-55-8) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(对环己基苯甲酰基)丁酸
5-(4-cyclohexylphenyl)-5-oxopentanoic acid
Also Known As: Butyric acid, 4-p-cyclohexylbenzoyl-, 5-(4-cyclohexylphenyl)-5-oxopentanoic acid, 5-(4-cyclohexylphenyl)-5-oxo-pentanoic Acid
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 99414-55-8 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCCC(=O)O |
| InChIKey | NQDZMHTXFRUGGR-UHFFFAOYSA-N |
Product Overview
4-(对环己基苯甲酰基)丁酸 (CAS 99414-55-8), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 5-(4-cyclohexylphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 4-(对环己基苯甲酰基)丁酸
Property Insights of 4-(对环己基苯甲酰基)丁酸
The XLogP value of 4.3 indicates that 4-(对环己基苯甲酰基)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-(对环己基苯甲酰基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(对环己基苯甲酰基)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-(对环己基苯甲酰基)丁酸?
The CAS number of 4-(对环己基苯甲酰基)丁酸 is 99414-55-8.
What is the molecular formula of 4-(对环己基苯甲酰基)丁酸?
The molecular formula of 4-(对环己基苯甲酰基)丁酸 is C17H22O3.
What is the molecular weight of 4-(对环己基苯甲酰基)丁酸?
The molecular weight of 4-(对环己基苯甲酰基)丁酸 is 274.16 g/mol.
Where can I buy 4-(对环己基苯甲酰基)丁酸?
You can request a quote for 4-(对环己基苯甲酰基)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-(对环己基苯甲酰基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(对环己基苯甲酰基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.