Butyric acid, 4-(p-isopropylbenzoyl)-
TL;DR: Butyric acid, 4-(p-isopropylbenzoyl)- (CAS 18847-18-2) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
Also Known As: 5-(4-iso-Propylphenyl)-5-oxovaleric acid, Butyric acid, 4-(p-isopropylbenzoyl)-, 5-oxo-5-(4-propan-2-ylphenyl)pentanoic Acid, 5-(4-isopropylphenyl)-5-oxovaleric acid, 5-oxo-5-[4-(propan-2-yl)phenyl]pentanoic acid
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 18847-18-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| InChIKey | ZDLSMQFJULLIEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 4-(p-isopropylbenzoyl)- (CAS 18847-18-2), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid.
Chemical Property Profile of Butyric acid, 4-(p-isopropylbenzoyl)-
Property Insights of Butyric acid, 4-(p-isopropylbenzoyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-(p-isopropylbenzoyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, Butyric acid, 4-(p-isopropylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-(p-isopropylbenzoyl)- 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 Butyric acid, 4-(p-isopropylbenzoyl)-?
The CAS number of Butyric acid, 4-(p-isopropylbenzoyl)- is 18847-18-2.
What is the molecular formula of Butyric acid, 4-(p-isopropylbenzoyl)-?
The molecular formula of Butyric acid, 4-(p-isopropylbenzoyl)- is C14H18O3.
What is the molecular weight of Butyric acid, 4-(p-isopropylbenzoyl)-?
The molecular weight of Butyric acid, 4-(p-isopropylbenzoyl)- is 234.13 g/mol.
Where can I buy Butyric acid, 4-(p-isopropylbenzoyl)-?
You can request a quote for Butyric acid, 4-(p-isopropylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-(p-isopropylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-(p-isopropylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.