tert-butyl s-tritylcysteinylphenylalanylglycinate
TL;DR: tert-butyl s-tritylcysteinylphenylalanylglycinate (CAS 47856-54-2) is a chemical compound with molecular formula C37H41N3O4S and molecular weight 623.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]acetate
Also Known As: tert-butyl s-tritylcysteinylphenylalanylglycinate, tert-butyl 2-[[2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]acetate, 2-Amino-N-{1-[(2-tert-butoxy-2-oxoethyl)imino]-1-hydroxy-3-phenylpropan-2-yl}-3-[(triphenylmethyl)sulfanyl]propanimidic acid
| Molecular Formula | C37H41N3O4S |
|---|---|
| Molecular Weight | 623.28 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 623.2818 |
| Heavy Atoms | 45 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 47856-54-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N |
| InChIKey | OXDYVXYZOPLSHL-UHFFFAOYSA-N |
Product Overview
tert-butyl s-tritylcysteinylphenylalanylglycinate (CAS 47856-54-2), with molecular formula C37H41N3O4S and molecular weight 623.28 g/mol. IUPAC: tert-butyl 2-[[2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]acetate.
Chemical Property Profile of tert-butyl s-tritylcysteinylphenylalanylglycinate
Property Insights of tert-butyl s-tritylcysteinylphenylalanylglycinate
The XLogP value of 6.2 indicates that tert-butyl s-tritylcysteinylphenylalanylglycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl s-tritylcysteinylphenylalanylglycinate. Following Lipinski's Rule of Five, tert-butyl s-tritylcysteinylphenylalanylglycinate 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 tert-butyl s-tritylcysteinylphenylalanylglycinate?
The CAS number of tert-butyl s-tritylcysteinylphenylalanylglycinate is 47856-54-2.
What is the molecular formula of tert-butyl s-tritylcysteinylphenylalanylglycinate?
The molecular formula of tert-butyl s-tritylcysteinylphenylalanylglycinate is C37H41N3O4S.
What is the molecular weight of tert-butyl s-tritylcysteinylphenylalanylglycinate?
The molecular weight of tert-butyl s-tritylcysteinylphenylalanylglycinate is 623.28 g/mol.
Where can I buy tert-butyl s-tritylcysteinylphenylalanylglycinate?
You can request a quote for tert-butyl s-tritylcysteinylphenylalanylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl s-tritylcysteinylphenylalanylglycinate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl s-tritylcysteinylphenylalanylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.