(2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate
TL;DR: (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate (CAS 481701-97-7) is a chemical compound with molecular formula C21H23BrN2O5 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3S)-2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoate
Also Known As: (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate, ethyl (2R,3S)-2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoate, ethyl (betaS)-N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-beta-hydroxy-D-phenylalaninate
| Molecular Formula | C21H23BrN2O5 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 2.9493 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.07904 |
| Heavy Atoms | 29 |
| Complexity | 826.7249 |
Chemical Identifiers
| CAS Number | 481701-97-7 |
|---|---|
| SMILES | CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)Br |
Product Overview
(2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate (CAS 481701-97-7), with molecular formula C21H23BrN2O5 and molecular weight 462.08 g/mol. IUPAC: ethyl (2R,3S)-2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoate.
Chemical Property Profile of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate
Property Insights of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate
The XLogP value of 2.9493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate. Following Lipinski's Rule of Five, (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate has 3 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 (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate?
The CAS number of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate is 481701-97-7.
What is the molecular formula of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate?
The molecular formula of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate is C21H23BrN2O5.
What is the molecular weight of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate?
The molecular weight of (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate is 462.08 g/mol.
Where can I buy (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate?
You can request a quote for (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-hydroxy-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.