![2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide structure](/static/products/6785/678541-21-4.webp)
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
TL;DR: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CAS 678541-21-4) is a chemical compound with molecular formula C27H25FN4O6S and molecular weight 552.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide, N~2~-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-fluorophenyl)glycinamide
| Molecular Formula | C27H25FN4O6S |
|---|---|
| Molecular Weight | 552.15 g/mol |
| LogP | 3.22872 |
| Topological Polar Surface Area | 111.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.1479 |
| Heavy Atoms | 39 |
| Complexity | 1698.7925 |
Chemical Identifiers
| CAS Number | 678541-21-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CAS 678541-21-4), with molecular formula C27H25FN4O6S and molecular weight 552.15 g/mol. IUPAC: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Property Insights of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
The XLogP value of 3.22872 indicates that 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide. Following Lipinski's Rule of Five, 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The CAS number of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is 678541-21-4.
What is the molecular formula of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The molecular formula of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is C27H25FN4O6S.
What is the molecular weight of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The molecular weight of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is 552.15 g/mol.
Where can I buy 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
You can request a quote for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.