Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-
TL;DR: Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- (CAS 111857-42-2) is a chemical compound with molecular formula C14H14FO3- and molecular weight 249.0927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(1S,2R)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylate
Also Known As: C14H14FO3-, (1S,2R)-2-(4-fluorobenzoyl)cyclohexanecarboxylate, (1S,2R)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylate, Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-, trans-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C14H14FO3- |
| Molecular Weight | 249.0927 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0927 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1CC[C@@H]([C@@H](C1)C(=O)C2=CC=C(C=C2)F)C(=O)[O-] |
| InChIKey | RCCIJJKDNJBQIL-NEPJUHHUSA-M |
Chemical Property Profile of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-
Property Insights of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-
The XLogP value of 3.4 indicates that Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- has 0 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 Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-?
The CAS number of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- is 111857-42-2.
What is the molecular formula of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-?
The molecular formula of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- is C14H14FO3-.
What is the molecular weight of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-?
The molecular weight of Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- is 249.0927 g/mol.
Where can I buy Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-?
You can request a quote for Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-?
Yes, CoreyChem provides custom synthesis services for Cyclohexanecarboxylicacid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.