![2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid structure](/static/products/1005/1005112-40-2.webp)
2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
TL;DR: 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1005112-40-2) is a chemical compound with molecular formula C20H21Cl2N3O4 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-({[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(N-{1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}carbamoyl)-7-oxa bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C20H21Cl2N3O4 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.67174 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0909 |
| Heavy Atoms | 29 |
| Complexity | 990.3462 |
Chemical Identifiers
| CAS Number | 1005112-40-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1005112-40-2), with molecular formula C20H21Cl2N3O4 and molecular weight 437.09 g/mol. IUPAC: 3-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
Property Insights of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
The XLogP value of 3.67174 indicates that 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-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 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-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 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The CAS number of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 1005112-40-2.
What is the molecular formula of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The molecular formula of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is C20H21Cl2N3O4.
What is the molecular weight of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The molecular weight of 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 437.09 g/mol.
Where can I buy 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
You can request a quote for 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.