![Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate structure](/static/products/3616/36160-84-6.webp)
Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
TL;DR: Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate (CAS 36160-84-6) is a chemical compound with molecular formula C47H44N2O5S and molecular weight 748.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
Also Known As: dimethyl n,s-ditritylcysteinylaspartate, dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
| Molecular Formula | C47H44N2O5S |
|---|---|
| Molecular Weight | 748.30 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 748.2971 |
| Heavy Atoms | 55 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 36160-84-6 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)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 | VPWTVPSLIDITOX-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate (CAS 36160-84-6), with molecular formula C47H44N2O5S and molecular weight 748.30 g/mol. IUPAC: dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate.
Chemical Property Profile of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
Property Insights of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
The XLogP value of 9.0 indicates that Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate 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 Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate 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 Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate?
The CAS number of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate is 36160-84-6.
What is the molecular formula of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate?
The molecular formula of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate is C47H44N2O5S.
What is the molecular weight of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate?
The molecular weight of Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate is 748.30 g/mol.
Where can I buy Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate?
You can request a quote for Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.