Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate
TL;DR: Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate (CAS 38236-43-0) is a chemical compound with molecular formula C41H47N3O11 and molecular weight 757.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
Also Known As: Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate, L-Alanine, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester, (2S)-5-(Benzyloxy)-2-({(2S)-5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-hydroxy-5-oxopentylidene}amino)-5-oxo-N-[(2S)-1-oxo-1-(2-oxo-2-phenylethoxy)propan-2-yl]pentanimidic acid, 5-(Benzyloxy)-2-({5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-hydroxy-5-oxopentylidene}amino)-5-oxo-N-[1-oxo-1-(2-oxo-2-phenylethoxy)propan-2-yl]pentanimidic acid, benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
| Molecular Formula | C41H47N3O11 |
|---|---|
| Molecular Weight | 757.32 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Exact Mass | 757.32104 |
| Heavy Atoms | 55 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 38236-43-0 |
|---|---|
| SMILES | CCOC(=O)C(C=C)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)OCC(=O)C3=CC=CC=C3 |
| InChIKey | PZROWVJBPHOOSX-XOECJQCUSA-N |
Product Overview
Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate (CAS 38236-43-0), with molecular formula C41H47N3O11 and molecular weight 757.32 g/mol. IUPAC: benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate.
Chemical Property Profile of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate
Property Insights of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate
The XLogP value of 4.8 indicates that Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate?
The CAS number of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate is 38236-43-0.
What is the molecular formula of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate?
The molecular formula of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate is C41H47N3O11.
What is the molecular weight of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate?
The molecular weight of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate is 757.32 g/mol.
Where can I buy Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate?
You can request a quote for Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.