Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-
TL;DR: Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- (CAS 147879-86-5) is a chemical compound with molecular formula C39H53N3O6S and molecular weight 691.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Also Known As: Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-, 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate, N,N'-{2-[(N-{2-[(Acetylsulfanyl)methyl]-1-hydroxy-3-phenylpropylidene}glycyl)oxy]propane-1,3-diyl}di(adamantane-1-carboximidic acid), RefChem:346419
| Molecular Formula | C39H53N3O6S |
|---|---|
| Molecular Weight | 691.37 g/mol |
| LogP | 4.8182 |
| Topological Polar Surface Area | 130.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 691.3655 |
| Heavy Atoms | 49 |
| Complexity | 1300.1246 |
Chemical Identifiers
| CAS Number | 147879-86-5 |
|---|---|
| SMILES | CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)C23CC4CC(C2)CC(C4)C3)CNC(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- (CAS 147879-86-5), with molecular formula C39H53N3O6S and molecular weight 691.37 g/mol. IUPAC: 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate.
Chemical Property Profile of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-
Property Insights of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-
The XLogP value of 4.8182 indicates that Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-. Following Lipinski's Rule of Five, Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-?
The CAS number of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- is 147879-86-5.
What is the molecular formula of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-?
The molecular formula of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- is C39H53N3O6S.
What is the molecular weight of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-?
The molecular weight of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- is 691.37 g/mol.
Where can I buy Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-?
You can request a quote for Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.