Methyl 5-bromo-2-(3-phenylpropanamido)benzoate
TL;DR: Methyl 5-bromo-2-(3-phenylpropanamido)benzoate (CAS 1599528-90-1) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-bromo-2-(3-phenylpropanoylamino)benzoate
Also Known As: Methyl 5-bromo-2-(3-phenylpropanamido)benzoate, methyl 5-bromo-2-(3-phenylpropanoylamino)benzoate
Technical Specifications
| Molecular Formula | C17H16BrNO3 |
| Molecular Weight | 361.03137 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.03137 Da |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCC2=CC=CC=C2 |
| InChIKey | INFWSOBDDAMMTI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate
Property Insights of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate
The XLogP value of 4.1 indicates that Methyl 5-bromo-2-(3-phenylpropanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-bromo-2-(3-phenylpropanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2-(3-phenylpropanamido)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate?
The CAS number of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate is 1599528-90-1.
What is the molecular formula of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate?
The molecular formula of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate is C17H16BrNO3.
What is the molecular weight of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate?
The molecular weight of Methyl 5-bromo-2-(3-phenylpropanamido)benzoate is 361.03137 g/mol.
Where can I buy Methyl 5-bromo-2-(3-phenylpropanamido)benzoate?
You can request a quote for Methyl 5-bromo-2-(3-phenylpropanamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-bromo-2-(3-phenylpropanamido)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-bromo-2-(3-phenylpropanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.