3-Cyclohexylbenzoic acid
TL;DR: 3-Cyclohexylbenzoic acid (CAS 107203-42-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyclohexylbenzoic acid
Also Known As: 3-cyclohexylbenzoic acid
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | C1CCC(CC1)C2=CC(=CC=C2)C(=O)O |
| InChIKey | NBRXQSILGBSKBZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyclohexylbenzoic acid
Property Insights of 3-Cyclohexylbenzoic acid
The XLogP value of 4.5 indicates that 3-Cyclohexylbenzoic 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, 3-Cyclohexylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylbenzoic 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 3-Cyclohexylbenzoic acid?
The CAS number of 3-Cyclohexylbenzoic acid is 107203-42-9.
What is the molecular formula of 3-Cyclohexylbenzoic acid?
The molecular formula of 3-Cyclohexylbenzoic acid is C13H16O2.
What is the molecular weight of 3-Cyclohexylbenzoic acid?
The molecular weight of 3-Cyclohexylbenzoic acid is 204.11504 g/mol.
Where can I buy 3-Cyclohexylbenzoic acid?
You can request a quote for 3-Cyclohexylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.