4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine
TL;DR: 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine (CAS 1854-23-5) is a chemical compound with molecular formula C13H25N3O4 and molecular weight 287.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine
Also Known As: EDMN, Epitope ID:117423, 4,4'-(2-ETHYL-2-NITROTRIMETHYLENE)DIMORPHOLINE, 4,4'-(2-Ethyl-2-nitropropane-1,3-diyl)bismorpholine, 4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine
| Molecular Formula | C13H25N3O4 |
|---|---|
| Molecular Weight | 287.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1845 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 1854-23-5 |
|---|---|
| SMILES | CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-] |
| InChIKey | XPGDDCOXMUFUCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine (CAS 1854-23-5), with molecular formula C13H25N3O4 and molecular weight 287.18 g/mol. IUPAC: 4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine.
Chemical Property Profile of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine
Property Insights of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine. Following Lipinski's Rule of Five, 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine has 0 hydrogen bond donor(s) and 6 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 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine?
The CAS number of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine is 1854-23-5.
What is the molecular formula of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine?
The molecular formula of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine is C13H25N3O4.
What is the molecular weight of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine?
The molecular weight of 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine is 287.18 g/mol.
Where can I buy 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine?
You can request a quote for 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.