3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
TL;DR: 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid (CAS 904791-38-4) is a chemical compound with molecular formula C18H24N4O3 and molecular weight 344.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
Also Known As: 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid, 3,4-dimethyl-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}cyclohex-3-ene-1-carboxylic acid, 3,4-dimethyl-6-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)cyclohex-3-enecarboxylic acid, 3,4-dimethyl-6-[(4-pyrimidin-2-ylpiperazinyl)carbonyl]cyclohex-3-enecarboxylic acid, 3,4-DIMETHYL-6-{[4-(2-PYRIMIDINYL)PIPERAZINO]CARBONYL}-3-CYCLOHEXENE-1-CARBOXYLIC ACID
| Molecular Formula | C18H24N4O3 |
|---|---|
| Molecular Weight | 344.18 g/mol |
| LogP | 1.5724 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.18484 |
| Heavy Atoms | 25 |
| Complexity | 680.8214 |
Chemical Identifiers
| CAS Number | 904791-38-4 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)O)C |
Product Overview
3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid (CAS 904791-38-4), with molecular formula C18H24N4O3 and molecular weight 344.18 g/mol. IUPAC: 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
Property Insights of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
The XLogP value of 1.5724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid. Following Lipinski's Rule of Five, 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid has 1 hydrogen bond donor(s) and 5 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 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid?
The CAS number of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid is 904791-38-4.
What is the molecular formula of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid?
The molecular formula of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid is C18H24N4O3.
What is the molecular weight of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid?
The molecular weight of 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid is 344.18 g/mol.
Where can I buy 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid?
You can request a quote for 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-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 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.