ethyl n,s-ditritylcysteinyltyrosinate
TL;DR: ethyl n,s-ditritylcysteinyltyrosinate (CAS 36163-76-5) is a chemical compound with molecular formula C52H48N2O4S and molecular weight 796.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-hydroxyphenyl)-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]propanoate
Also Known As: ethyl n,s-ditritylcysteinyltyrosinate, ethyl 3-(4-hydroxyphenyl)-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]propanoate, N-[1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)sulfanyl]propanimidic acid
| Molecular Formula | C52H48N2O4S |
|---|---|
| Molecular Weight | 796.33 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 796.3335 |
| Heavy Atoms | 59 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 36163-76-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | AUNVCPABFDBZRA-UHFFFAOYSA-N |
Product Overview
ethyl n,s-ditritylcysteinyltyrosinate (CAS 36163-76-5), with molecular formula C52H48N2O4S and molecular weight 796.33 g/mol. IUPAC: ethyl 3-(4-hydroxyphenyl)-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]propanoate.
Chemical Property Profile of ethyl n,s-ditritylcysteinyltyrosinate
Property Insights of ethyl n,s-ditritylcysteinyltyrosinate
The XLogP value of 11.1 indicates that ethyl n,s-ditritylcysteinyltyrosinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl n,s-ditritylcysteinyltyrosinate. Following Lipinski's Rule of Five, ethyl n,s-ditritylcysteinyltyrosinate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl n,s-ditritylcysteinyltyrosinate?
The CAS number of ethyl n,s-ditritylcysteinyltyrosinate is 36163-76-5.
What is the molecular formula of ethyl n,s-ditritylcysteinyltyrosinate?
The molecular formula of ethyl n,s-ditritylcysteinyltyrosinate is C52H48N2O4S.
What is the molecular weight of ethyl n,s-ditritylcysteinyltyrosinate?
The molecular weight of ethyl n,s-ditritylcysteinyltyrosinate is 796.33 g/mol.
Where can I buy ethyl n,s-ditritylcysteinyltyrosinate?
You can request a quote for ethyl n,s-ditritylcysteinyltyrosinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl n,s-ditritylcysteinyltyrosinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl n,s-ditritylcysteinyltyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.