![2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid structure](/static/products/1005/1005050-72-5.webp)
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
TL;DR: 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1005050-72-5) is a chemical compound with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-({[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{N-[(1,3-dimethylpyrazol-4-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2 -carboxylic acid
| Molecular Formula | C14H19N3O4 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 0.22292 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.13754 |
| Heavy Atoms | 21 |
| Complexity | 582.7743 |
Chemical Identifiers
| CAS Number | 1005050-72-5 |
|---|---|
| SMILES | CC1=NN(C=C1CNC(=O)C2C3CCC(C2C(=O)O)O3)C |
Product Overview
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1005050-72-5), with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol. IUPAC: 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
Property Insights of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
The XLogP value of 0.22292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-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-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The CAS number of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 1005050-72-5.
What is the molecular formula of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The molecular formula of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is C14H19N3O4.
What is the molecular weight of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
The molecular weight of 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 293.14 g/mol.
Where can I buy 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
You can request a quote for 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-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-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.