beta-Methylbenzenebutanoic acid
TL;DR: beta-Methylbenzenebutanoic acid (CAS 7315-68-6) 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.
3-methyl-4-phenylbutanoic acid
Also Known As: 3-Methyl-4-phenylbutanoic acid, 3-Methyl-4-phenyl-butyric acid, Butyric acid, 3-methyl-4-phenyl-, beta-Methylbenzenebutanoic acid, beta-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 | 7315-68-6 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)CC(=O)O |
| InChIKey | CJBVVZBGGFKPDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Methylbenzenebutanoic acid (CAS 7315-68-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-methyl-4-phenylbutanoic acid.
Chemical Property Profile of beta-Methylbenzenebutanoic acid
Property Insights of beta-Methylbenzenebutanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methylbenzenebutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, beta-Methylbenzenebutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methylbenzenebutanoic acid 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 beta-Methylbenzenebutanoic acid?
The CAS number of beta-Methylbenzenebutanoic acid is 7315-68-6.
What is the molecular formula of beta-Methylbenzenebutanoic acid?
The molecular formula of beta-Methylbenzenebutanoic acid is C11H14O2.
What is the molecular weight of beta-Methylbenzenebutanoic acid?
The molecular weight of beta-Methylbenzenebutanoic acid is 178.10 g/mol.
Where can I buy beta-Methylbenzenebutanoic acid?
You can request a quote for beta-Methylbenzenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methylbenzenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Methylbenzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.