Butyric acid, 2-methyl-4-phenyl-
TL;DR: Butyric acid, 2-methyl-4-phenyl- (CAS 1949-41-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-phenylbutanoic acid
Also Known As: 2-methyl-4-phenylbutanoic acid, 2-Methyl-4-phenyl-butyric acid, alpha-Methylbenzenebutyric acid, 1-Pyrenyl b-D-glucuronide, A-Methylbenzenebutyric acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1949-41-3 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)C(=O)O |
| InChIKey | OCKZHEXBLOOGOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 2-methyl-4-phenyl- (CAS 1949-41-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-methyl-4-phenylbutanoic acid.
Chemical Property Profile of Butyric acid, 2-methyl-4-phenyl-
Property Insights of Butyric acid, 2-methyl-4-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 2-methyl-4-phenyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Butyric acid, 2-methyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-methyl-4-phenyl- has 1 hydrogen bond donor(s) and 2 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, 2-methyl-4-phenyl-?
The CAS number of Butyric acid, 2-methyl-4-phenyl- is 1949-41-3.
What is the molecular formula of Butyric acid, 2-methyl-4-phenyl-?
The molecular formula of Butyric acid, 2-methyl-4-phenyl- is C11H14O2.
What is the molecular weight of Butyric acid, 2-methyl-4-phenyl-?
The molecular weight of Butyric acid, 2-methyl-4-phenyl- is 178.10 g/mol.
Where can I buy Butyric acid, 2-methyl-4-phenyl-?
You can request a quote for Butyric acid, 2-methyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.