Dinitrophenyl-beta-alanyl-glycyl-glycine
TL;DR: Dinitrophenyl-beta-alanyl-glycyl-glycine (CAS 518064-16-9) is a chemical compound with molecular formula C13H15N5O8 and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[3-(2,4-dinitroanilino)propanoylamino]acetyl]amino]acetic acid
Also Known As: Dnp-ala-gly-gly, Dinitrophenyl-beta-ala-gly-gly, Dinitrophenyl-beta-alanyl-glycyl-glycine, Dinitrophenyl-beta-alanylglycylglycine, n-(2,4-dinitrophenyl)-
| Molecular Formula | C13H15N5O8 |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.09207 |
| Heavy Atoms | 26 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 518064-16-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(=O)NCC(=O)NCC(=O)O |
| InChIKey | CPJBFJHFOFDTMB-UHFFFAOYSA-N |
Product Overview
Dinitrophenyl-beta-alanyl-glycyl-glycine (CAS 518064-16-9), with molecular formula C13H15N5O8 and molecular weight 369.09 g/mol. IUPAC: 2-[[2-[3-(2,4-dinitroanilino)propanoylamino]acetyl]amino]acetic acid.
Chemical Property Profile of Dinitrophenyl-beta-alanyl-glycyl-glycine
Property Insights of Dinitrophenyl-beta-alanyl-glycyl-glycine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrophenyl-beta-alanyl-glycyl-glycine. The TPSA of 199.0 Ų indicates high polarity, suggesting Dinitrophenyl-beta-alanyl-glycyl-glycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinitrophenyl-beta-alanyl-glycyl-glycine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinitrophenyl-beta-alanyl-glycyl-glycine?
The CAS number of Dinitrophenyl-beta-alanyl-glycyl-glycine is 518064-16-9.
What is the molecular formula of Dinitrophenyl-beta-alanyl-glycyl-glycine?
The molecular formula of Dinitrophenyl-beta-alanyl-glycyl-glycine is C13H15N5O8.
What is the molecular weight of Dinitrophenyl-beta-alanyl-glycyl-glycine?
The molecular weight of Dinitrophenyl-beta-alanyl-glycyl-glycine is 369.09 g/mol.
Where can I buy Dinitrophenyl-beta-alanyl-glycyl-glycine?
You can request a quote for Dinitrophenyl-beta-alanyl-glycyl-glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrophenyl-beta-alanyl-glycyl-glycine?
Yes, KEHONG BIO provides custom synthesis services for Dinitrophenyl-beta-alanyl-glycyl-glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.