![3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide structure](/static/products/1005/1005663-29-5.webp)
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
TL;DR: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CAS 1005663-29-5) is a chemical compound with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Also Known As: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide, N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl){3-[(4-bromo-3,5-dimethylpyrazolyl)methyl ]phenyl}carboxamide
| Molecular Formula | C21H20BrN3O3 |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 4.33424 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0688 |
| Heavy Atoms | 28 |
| Complexity | 1045.3702 |
Chemical Identifiers
| CAS Number | 1005663-29-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)Br |
Product Overview
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CAS 1005663-29-5), with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol. IUPAC: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
Chemical Property Profile of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Property Insights of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
The XLogP value of 4.33424 indicates that 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide. Following Lipinski's Rule of Five, 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has 1 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-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The CAS number of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is 1005663-29-5.
What is the molecular formula of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The molecular formula of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is C21H20BrN3O3.
What is the molecular weight of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The molecular weight of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is 441.07 g/mol.
Where can I buy 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
You can request a quote for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.