4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid
TL;DR: 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid (CAS 99769-55-8) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methylidenecyclohexyl)methoxycarbonyl]benzoic acid
Also Known As: 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid, 4-{[(4-methylidenecyclohexyl)methoxy]carbonyl}benzoic acid, 4-[(4-methylidenecyclohexyl)methoxycarbonyl]benzoic acid, 1,4-Benzenedicarboxylic acid hydrogen 1-[(4-methylenecyclohexyl)methyl] ester, EINECS 309-032-2
Technical Specifications
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.1205 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.1205 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | C=C1CCC(CC1)COC(=O)C2=CC=C(C=C2)C(=O)O |
| InChIKey | FJWRKFZPEUYKET-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid
Property Insights of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid
The XLogP value of 3.0 indicates that 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid?
The CAS number of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid is 99769-55-8.
What is the molecular formula of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid?
The molecular formula of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid is C16H18O4.
What is the molecular weight of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid?
The molecular weight of 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid is 274.1205 g/mol.
Where can I buy 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid?
You can request a quote for 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Methylenecyclohexylmethoxycarbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.