Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate
TL;DR: Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate (CAS 80548-08-9) is a chemical compound with molecular formula C25H26N2O4 and molecular weight 418.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate
Also Known As: ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate, Ethyl N-benzoyl-3-[4-(benzyloxy)anilino]alaninate
| Molecular Formula | C25H26N2O4 |
|---|---|
| Molecular Weight | 418.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.18927 |
| Heavy Atoms | 31 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 80548-08-9 |
|---|---|
| SMILES | CCOC(=O)C(CNC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
| InChIKey | QANLKUZUVGQFBW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate (CAS 80548-08-9), with molecular formula C25H26N2O4 and molecular weight 418.19 g/mol. IUPAC: ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate.
Chemical Property Profile of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate
Property Insights of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate
The XLogP value of 5.2 indicates that Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate 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 Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate?
The CAS number of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate is 80548-08-9.
What is the molecular formula of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate?
The molecular formula of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate is C25H26N2O4.
What is the molecular weight of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate?
The molecular weight of Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate is 418.19 g/mol.
Where can I buy Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate?
You can request a quote for Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-3-(4-phenylmethoxyanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.