(S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide
TL;DR: (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide (CAS 103784-66-3) is a chemical compound with molecular formula C26H36N8O5S and molecular weight 572.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-aminoanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide
Also Known As: (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide
| Molecular Formula | C26H36N8O5S |
|---|---|
| Molecular Weight | 572.25 g/mol |
| LogP | 0.02362 |
| Topological Polar Surface Area | 215.1 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.2529 |
| Heavy Atoms | 40 |
| Complexity | 1325.868 |
Chemical Identifiers
| CAS Number | 103784-66-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)N |
Product Overview
(S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide (CAS 103784-66-3), with molecular formula C26H36N8O5S and molecular weight 572.25 g/mol. IUPAC: N-[1-(4-aminoanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide
Property Insights of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide
The XLogP value of 0.02362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide. The TPSA of 215.1 Ų indicates high polarity, suggesting (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide has 6 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 (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide?
The CAS number of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide is 103784-66-3.
What is the molecular formula of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide?
The molecular formula of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide is C26H36N8O5S.
What is the molecular weight of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide?
The molecular weight of (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide is 572.25 g/mol.
Where can I buy (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide?
You can request a quote for (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-((S)-1-((4-aminophenyl)amino)-5-guanidino-1-oxopentan-2-yl)-1-(tosylglycyl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.