Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)
TL;DR: Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) (CAS 68426-96-0) is a chemical compound with molecular formula C21H28Cl2F3N5O5 and molecular weight 557.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(2-aminoacetyl)-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Also Known As: Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate), Glycinamide, glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-, mono(trifluoroacetate), (2S)-1-(2-aminoacetyl)-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid, Trifluoroacetic acid--glycyl-N-(2-{4-[bis(2-chloroethyl)amino]anilino}-1-hydroxyethylidene)-L-prolinamide (1/1), Trifluoroacetic acid--glycyl-N-(2-{4-[bis(2-chloroethyl)amino]anilino}-1-hydroxyethylidene)prolinamide (1/1)
| Molecular Formula | C21H28Cl2F3N5O5 |
|---|---|
| Molecular Weight | 557.14 g/mol |
| LogP | 1.6083 |
| Topological Polar Surface Area | 145.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 557.14197 |
| Heavy Atoms | 36 |
| Complexity | 883.6889 |
Chemical Identifiers
| CAS Number | 68426-96-0 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)CN)C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl.C(=O)(C(F)(F)F)O |
Product Overview
Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) (CAS 68426-96-0), with molecular formula C21H28Cl2F3N5O5 and molecular weight 557.14 g/mol. IUPAC: (2S)-1-(2-aminoacetyl)-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)
Property Insights of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)
The XLogP value of 1.6083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate). The TPSA of 145.07 Ų indicates high polarity, suggesting Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) has 4 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 Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)?
The CAS number of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) is 68426-96-0.
What is the molecular formula of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)?
The molecular formula of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) is C21H28Cl2F3N5O5.
What is the molecular weight of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)?
The molecular weight of Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) is 557.14 g/mol.
Where can I buy Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)?
You can request a quote for Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.