![6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid structure](/static/products/5151/515150-22-8.webp)
6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
TL;DR: 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 515150-22-8) is a chemical compound with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 6-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-{[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-((1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C20H22ClN3O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.80714 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.13498 |
| Heavy Atoms | 27 |
| Complexity | 886.6221 |
Chemical Identifiers
| CAS Number | 515150-22-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 515150-22-8), with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol. IUPAC: 6-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
Property Insights of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
The XLogP value of 3.80714 indicates that 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid has 2 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-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 515150-22-8.
What is the molecular formula of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is C20H22ClN3O3.
What is the molecular weight of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 387.13 g/mol.
Where can I buy 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-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-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.