![6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid structure](/static/products/904/904795-90-0.png)
6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
TL;DR: 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 904795-90-0) is a chemical compound with molecular formula C21H27FN2O3 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-(4-(3-fluorobenzyl)piperazine-1-carbonyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-({4-[(3-fluorophenyl)methyl]piperazinyl}carbonyl)-3,4-dimethylcyclohex-3-ene carboxylic acid, 6-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid, 6-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C21H27FN2O3 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 2.9171 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.20056 |
| Heavy Atoms | 27 |
| Complexity | 753.5485 |
Chemical Identifiers
| CAS Number | 904795-90-0 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)O)C |
Product Overview
6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 904795-90-0), with molecular formula C21H27FN2O3 and molecular weight 374.20 g/mol. IUPAC: 6-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Property Insights of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 2.9171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 904795-90-0.
What is the molecular formula of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is C21H27FN2O3.
What is the molecular weight of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 374.20 g/mol.
Where can I buy 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.