Diethyl n,s-ditritylcysteinylglutamate
TL;DR: Diethyl n,s-ditritylcysteinylglutamate (CAS 35959-82-1) is a chemical compound with molecular formula C50H50N2O5S and molecular weight 790.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanedioate
Also Known As: diethyl n,s-ditritylcysteinylglutamate, Diethyl N,S-bis(triphenylmethyl)cysteinylglutamate, diethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanedioate
| Molecular Formula | C50H50N2O5S |
|---|---|
| Molecular Weight | 790.34 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 790.34406 |
| Heavy Atoms | 58 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 35959-82-1 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | HXQMEXBMQABZTD-UHFFFAOYSA-N |
Product Overview
Diethyl n,s-ditritylcysteinylglutamate (CAS 35959-82-1), with molecular formula C50H50N2O5S and molecular weight 790.34 g/mol. IUPAC: diethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanedioate.
Chemical Property Profile of Diethyl n,s-ditritylcysteinylglutamate
Property Insights of Diethyl n,s-ditritylcysteinylglutamate
The XLogP value of 10.0 indicates that Diethyl n,s-ditritylcysteinylglutamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl n,s-ditritylcysteinylglutamate. Following Lipinski's Rule of Five, Diethyl n,s-ditritylcysteinylglutamate has 2 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 Diethyl n,s-ditritylcysteinylglutamate?
The CAS number of Diethyl n,s-ditritylcysteinylglutamate is 35959-82-1.
What is the molecular formula of Diethyl n,s-ditritylcysteinylglutamate?
The molecular formula of Diethyl n,s-ditritylcysteinylglutamate is C50H50N2O5S.
What is the molecular weight of Diethyl n,s-ditritylcysteinylglutamate?
The molecular weight of Diethyl n,s-ditritylcysteinylglutamate is 790.34 g/mol.
Where can I buy Diethyl n,s-ditritylcysteinylglutamate?
You can request a quote for Diethyl n,s-ditritylcysteinylglutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl n,s-ditritylcysteinylglutamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl n,s-ditritylcysteinylglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.