ChemDiv1_023001
TL;DR: ChemDiv1_023001 (CAS 406474-25-7) is a chemical compound with molecular formula C21H20BrNO4S and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2,4,6-trimethylbenzenesulfonamide
Also Known As: ChemDiv1_023001, BIM-0030002.P001, AQ-390/12510282, N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2,4,6-trimethylbenzenesulfonamide, N-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2,4,6-trimethylbenzenesulfonamide
| Molecular Formula | C21H20BrNO4S |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 5.44036 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.02963 |
| Heavy Atoms | 28 |
| Complexity | 1218.0094 |
Chemical Identifiers
| CAS Number | 406474-25-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C(=C2)Br)OC4=C3C(=O)CCC4)C |
Product Overview
ChemDiv1_023001 (CAS 406474-25-7), with molecular formula C21H20BrNO4S and molecular weight 461.03 g/mol. IUPAC: N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2,4,6-trimethylbenzenesulfonamide.
Chemical Property Profile of ChemDiv1_023001
Property Insights of ChemDiv1_023001
The XLogP value of 5.44036 indicates that ChemDiv1_023001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023001. Following Lipinski's Rule of Five, ChemDiv1_023001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023001?
The CAS number of ChemDiv1_023001 is 406474-25-7.
What is the molecular formula of ChemDiv1_023001?
The molecular formula of ChemDiv1_023001 is C21H20BrNO4S.
What is the molecular weight of ChemDiv1_023001?
The molecular weight of ChemDiv1_023001 is 461.03 g/mol.
Where can I buy ChemDiv1_023001?
You can request a quote for ChemDiv1_023001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023001?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.