Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
TL;DR: Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate (CAS 64949-86-6) is a chemical compound with molecular formula C34H34N2O4S and molecular weight 566.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
Also Known As: ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate, Ethyl N-benzoyl-beta-alanyl-S-(triphenylmethyl)cysteinate
| Molecular Formula | C34H34N2O4S |
|---|---|
| Molecular Weight | 566.22 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 566.22394 |
| Heavy Atoms | 41 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 64949-86-6 |
|---|---|
| SMILES | CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)CCNC(=O)C4=CC=CC=C4 |
| InChIKey | UKCMXRFJTHABPU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate (CAS 64949-86-6), with molecular formula C34H34N2O4S and molecular weight 566.22 g/mol. IUPAC: ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate.
Chemical Property Profile of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
Property Insights of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate
The XLogP value of 6.1 indicates that Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate 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 Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate?
The CAS number of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate is 64949-86-6.
What is the molecular formula of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate?
The molecular formula of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate is C34H34N2O4S.
What is the molecular weight of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate?
The molecular weight of Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate is 566.22 g/mol.
Where can I buy Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate?
You can request a quote for Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-benzamidopropanoylamino)-3-tritylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.