Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
TL;DR: Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate (CAS 58816-69-6) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
Also Known As: N-Benzoyl-4-nitroaniline ethyl ester, Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate, (S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate, L-Phenylalanine, N-benzoyl-4-nitro-, ethyl ester, ethyl (S)-2-benzamido-3-(4-nitrophenyl)propanoate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.499 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 743.82153 |
Chemical Identifiers
| CAS Number | 58816-69-6 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2 |
Product Overview
Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate (CAS 58816-69-6), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
Property Insights of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
The XLogP value of 2.499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate has 1 hydrogen bond donor(s) and 5 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 (2S)-2-benzamido-3-(4-nitrophenyl)propanoate?
The CAS number of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate is 58816-69-6.
What is the molecular formula of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate?
The molecular formula of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate is C18H18N2O5.
What is the molecular weight of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate?
The molecular weight of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate is 342.12 g/mol.
Where can I buy Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate?
You can request a quote for Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.