4-(1-Methylcyclopropyl)benzoic acid
TL;DR: 4-(1-Methylcyclopropyl)benzoic acid (CAS 131170-40-6) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-methylcyclopropyl)benzoic acid
Also Known As: 4-(1-methylcyclopropyl)benzoic acid, 4-(1-methylcyclopropyl)benzoicacid, 4-(1-METHYL-CYCLOPROPYL)-BENZOIC ACID, 823-593-5, F73597
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC1(CC1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | MJEMBQXUGUQDEK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Methylcyclopropyl)benzoic acid
Property Insights of 4-(1-Methylcyclopropyl)benzoic acid
The XLogP value of 3.4 indicates that 4-(1-Methylcyclopropyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(1-Methylcyclopropyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylcyclopropyl)benzoic 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
What is the CAS number of 4-(1-Methylcyclopropyl)benzoic acid?
The CAS number of 4-(1-Methylcyclopropyl)benzoic acid is 131170-40-6.
What is the molecular formula of 4-(1-Methylcyclopropyl)benzoic acid?
The molecular formula of 4-(1-Methylcyclopropyl)benzoic acid is C11H12O2.
What is the molecular weight of 4-(1-Methylcyclopropyl)benzoic acid?
The molecular weight of 4-(1-Methylcyclopropyl)benzoic acid is 176.08372 g/mol.
Where can I buy 4-(1-Methylcyclopropyl)benzoic acid?
You can request a quote for 4-(1-Methylcyclopropyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Methylcyclopropyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1-Methylcyclopropyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.