Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate
TL;DR: Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate (CAS 449788-70-9) is a chemical compound with molecular formula C18H17Br2NO3 and molecular weight 452.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,3-dibromo-3-phenylpropanoyl)amino]benzoate
Also Known As: ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate, ethyl 4-[(2,3-dibromo-3-phenylpropanoyl)amino]benzoate, ethyl 4-(2,3-dibromo-3-phenylpropanoylamino)benzoate, F1360-0511
| Molecular Formula | C18H17Br2NO3 |
|---|---|
| Molecular Weight | 452.96 g/mol |
| LogP | 4.7015 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.95752 |
| Heavy Atoms | 24 |
| Complexity | 689.16986 |
Chemical Identifiers
| CAS Number | 449788-70-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C2=CC=CC=C2)Br)Br |
Product Overview
Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate (CAS 449788-70-9), with molecular formula C18H17Br2NO3 and molecular weight 452.96 g/mol. IUPAC: ethyl 4-[(2,3-dibromo-3-phenylpropanoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate
Property Insights of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate
The XLogP value of 4.7015 indicates that Ethyl 4-(2,3-dibromo-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, Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2,3-dibromo-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
Frequently Asked Questions
What is the CAS number of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate?
The CAS number of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate is 449788-70-9.
What is the molecular formula of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate?
The molecular formula of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate is C18H17Br2NO3.
What is the molecular weight of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate?
The molecular weight of Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate is 452.96 g/mol.
Where can I buy Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate?
You can request a quote for Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.