ChemDiv1_015737
TL;DR: ChemDiv1_015737 (CAS 451508-56-8) is a chemical compound with molecular formula C21H15BrF2N2O5S and molecular weight 523.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide
Also Known As: ChemDiv1_015737, 5-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide, F0917-1264, 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide, 5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide
| Molecular Formula | C21H15BrF2N2O5S |
|---|---|
| Molecular Weight | 523.99 g/mol |
| LogP | 4.1868 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.9853 |
| Heavy Atoms | 32 |
| Complexity | 1317.5374 |
Chemical Identifiers
| CAS Number | 451508-56-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F |
Product Overview
ChemDiv1_015737 (CAS 451508-56-8), with molecular formula C21H15BrF2N2O5S and molecular weight 523.99 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide.
Chemical Property Profile of ChemDiv1_015737
Property Insights of ChemDiv1_015737
The XLogP value of 4.1868 indicates that ChemDiv1_015737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015737. Following Lipinski's Rule of Five, ChemDiv1_015737 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_015737?
The CAS number of ChemDiv1_015737 is 451508-56-8.
What is the molecular formula of ChemDiv1_015737?
The molecular formula of ChemDiv1_015737 is C21H15BrF2N2O5S.
What is the molecular weight of ChemDiv1_015737?
The molecular weight of ChemDiv1_015737 is 523.99 g/mol.
Where can I buy ChemDiv1_015737?
You can request a quote for ChemDiv1_015737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015737?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.