![N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide structure](/static/products/4440/444078-67-5.webp)
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
TL;DR: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide (CAS 444078-67-5) is a chemical compound with molecular formula C22H18BrNO5S and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
Also Known As: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide, N-{7-[(2-bromophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-methylbenzenesulfonamide
| Molecular Formula | C22H18BrNO5S |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 4.56052 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.0089 |
| Heavy Atoms | 30 |
| Complexity | 1222.7754 |
Chemical Identifiers
| CAS Number | 444078-67-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C4=CC=CC=C4Br)OCCO3 |
Product Overview
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide (CAS 444078-67-5), with molecular formula C22H18BrNO5S and molecular weight 487.01 g/mol. IUPAC: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide.
Chemical Property Profile of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
Property Insights of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
The XLogP value of 4.56052 indicates that N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide has 1 hydrogen bond donor(s) and 5 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 N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide?
The CAS number of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide is 444078-67-5.
What is the molecular formula of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide?
The molecular formula of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide is C22H18BrNO5S.
What is the molecular weight of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide?
The molecular weight of N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide is 487.01 g/mol.
Where can I buy N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide?
You can request a quote for N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.