DA 3854
TL;DR: DA 3854 (CAS 74550-91-7) is a chemical compound with molecular formula C18H30N4O10 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethyl]azanium
Also Known As: DA 3854, Ethanamine, N,N-diethyl-2-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethyl]azanium, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethyl]azanium, N,N-Diethyl-2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]ethan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
| Molecular Formula | C18H30N4O10 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | -2.54 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 462.1962 |
| Heavy Atoms | 32 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 74550-91-7 |
|---|---|
| SMILES | CC[NH+](CC)CCOCCN1C(=NC=C1[N+](=O)[O-])C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | ODWPOVRZARQDLF-UHFFFAOYSA-N |
Product Overview
DA 3854 (CAS 74550-91-7), with molecular formula C18H30N4O10 and molecular weight 462.20 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethyl]azanium.
Chemical Property Profile of DA 3854
Property Insights of DA 3854
The XLogP value of -2.54 indicates that DA 3854 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting DA 3854 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DA 3854 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DA 3854?
The CAS number of DA 3854 is 74550-91-7.
What is the molecular formula of DA 3854?
The molecular formula of DA 3854 is C18H30N4O10.
What is the molecular weight of DA 3854?
The molecular weight of DA 3854 is 462.20 g/mol.
Where can I buy DA 3854?
You can request a quote for DA 3854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DA 3854?
Yes, KEHONG BIO provides custom synthesis services for DA 3854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.