(4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
TL;DR: (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (CAS 5697-67-6) is a chemical compound with molecular formula C18H18BrCl2NO4S and molecular weight 492.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
Also Known As: Pregna-1,4-diene-3,15,20-trione, (4-bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate, (4-Bromophenyl)methyl 2,4-dichloro-5-[(2-methylpropyl)sulfamoyl]benzoate
| Molecular Formula | C18H18BrCl2NO4S |
|---|---|
| Molecular Weight | 492.95 g/mol |
| LogP | 5.0472 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.9517 |
| Heavy Atoms | 27 |
| Complexity | 931.123 |
Chemical Identifiers
| CAS Number | 5697-67-6 |
|---|---|
| SMILES | CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)Cl)Cl |
Product Overview
(4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (CAS 5697-67-6), with molecular formula C18H18BrCl2NO4S and molecular weight 492.95 g/mol. IUPAC: (4-bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.
Chemical Property Profile of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
Property Insights of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
The XLogP value of 5.0472 indicates that (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate. Following Lipinski's Rule of Five, (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate 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 (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The CAS number of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is 5697-67-6.
What is the molecular formula of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The molecular formula of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is C18H18BrCl2NO4S.
What is the molecular weight of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The molecular weight of (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is 492.95 g/mol.
Where can I buy (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
You can request a quote for (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.