![3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/4930/493032-03-4.webp)
3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 493032-03-4) is a chemical compound with molecular formula C20H22ClN3O4 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-((1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-({1-[(2-CHLOROPHENYL)METHYL]-3,5-DIMETHYLPYRAZOL-4-YL}CARBAMOYL)-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 3-(N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}carbamoyl)-7-oxabicy clo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C20H22ClN3O4 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 3.01834 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12988 |
| Heavy Atoms | 28 |
| Complexity | 941.52716 |
Chemical Identifiers
| CAS Number | 493032-03-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 493032-03-4), with molecular formula C20H22ClN3O4 and molecular weight 403.13 g/mol. IUPAC: 3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 3.01834 indicates that 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 493032-03-4.
What is the molecular formula of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C20H22ClN3O4.
What is the molecular weight of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 403.13 g/mol.
Where can I buy 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-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-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.