![Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate structure](/static/products/3595/35959-77-4.webp)
Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate
TL;DR: Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate (CAS 35959-77-4) is a chemical compound with molecular formula C47H46N2O3S and molecular weight 718.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate
Also Known As: methyl n,s-ditritylcysteinylvalinate, methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate, N-(1-Methoxy-3-methyl-1-oxobutan-2-yl)-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)sulfanyl]propanimidic acid
| Molecular Formula | C47H46N2O3S |
|---|---|
| Molecular Weight | 718.32 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 718.32294 |
| Heavy Atoms | 53 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 35959-77-4 |
|---|---|
| SMILES | CC(C)C(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 | RFJHGXWOZIXSHT-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate (CAS 35959-77-4), with molecular formula C47H46N2O3S and molecular weight 718.32 g/mol. IUPAC: methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate.
Chemical Property Profile of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate
Property Insights of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate
The XLogP value of 10.5 indicates that Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate?
The CAS number of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate is 35959-77-4.
What is the molecular formula of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate?
The molecular formula of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate is C47H46N2O3S.
What is the molecular weight of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate?
The molecular weight of Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate is 718.32 g/mol.
Where can I buy Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate?
You can request a quote for Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.