![Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate structure](/static/products/1008/1008063-39-5.webp)
Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate
TL;DR: Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate (CAS 1008063-39-5) is a chemical compound with molecular formula C18H19BrN2O5S and molecular weight 454.0198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate
Also Known As: AH-487/42664616, ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate, ethyl 4-(2-(4-bromophenylsulfonamido)propanamido)benzoate, ethyl 4-[(2-{[(4-bromophenyl)sulfonyl]amino}propanoyl)amino]benzoate
Technical Specifications
| Molecular Formula | C18H19BrN2O5S |
| Molecular Weight | 454.0198 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.0198 Da |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | OZCVSWGSTVOYSZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate
Property Insights of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate
The XLogP value of 3.1 indicates that Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate?
The CAS number of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate is 1008063-39-5.
What is the molecular formula of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate?
The molecular formula of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate is C18H19BrN2O5S.
What is the molecular weight of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate?
The molecular weight of Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate is 454.0198 g/mol.
Where can I buy Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate?
You can request a quote for Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[2-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.