Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate
TL;DR: Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate (CAS 38236-39-4) 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.
5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate
Also Known As: Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate, L-Glutamic acid, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alanyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester, 5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate, L-Glutamic acid, N-[N-[N-[1-(ethoxycarbonyl)-2-propenyl]-L-alanyl]-L-.alpha.-glutamyl]-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester
| 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 | 38236-39-4 |
|---|---|
| SMILES | CCOC(=O)C(C=C)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3 |
| InChIKey | CNAHJEUMYOJVKF-XOECJQCUSA-N |
Product Overview
Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate (CAS 38236-39-4), with molecular formula C41H47N3O11 and molecular weight 757.32 g/mol. IUPAC: 5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate.
Chemical Property Profile of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate
Property Insights of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate
The XLogP value of 4.8 indicates that Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate 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)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate 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)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate?
The CAS number of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate is 38236-39-4.
What is the molecular formula of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate?
The molecular formula of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate is C41H47N3O11.
What is the molecular weight of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate?
The molecular weight of Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate is 757.32 g/mol.
Where can I buy Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate?
You can request a quote for Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate 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)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.