RefChem:1090023
TL;DR: RefChem:1090023 (CAS 1638-53-5) is a chemical compound with molecular formula C21H26BrN3O4 and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitrobenzamide bromide
Also Known As: Morpholinium, 4-(2-(N-benzyl-p-nitrobenzamido)ethyl)-4-methyl-, bromide, 4-(2-(N-Benzyl-p-nitrobenzamido)ethyl)-4-methylmorpholinium bromide, Morpholinium, 4-methyl-4-(2-((4-nitrobenzoyl)(phenylmethyl)amino)ethyl)-, bromide, 4-[2-(N-Benzyl-4-nitrobenzamido)ethyl]-4-methylmorpholin-4-ium bromide, 4-{2-[benzyl(4-nitrobenzoyl)amino]ethyl}-4-methylmorpholin-4-ium bromide
| Molecular Formula | C21H26BrN3O4 |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.11066 |
| Heavy Atoms | 29 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 1638-53-5 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] |
| InChIKey | FNFJGUCQNMYSHQ-UHFFFAOYSA-M |
Product Overview
RefChem:1090023 (CAS 1638-53-5), with molecular formula C21H26BrN3O4 and molecular weight 463.11 g/mol. IUPAC: N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitrobenzamide bromide.
Chemical Property Profile of RefChem:1090023
Property Insights of RefChem:1090023
The XLogP value of -0.28 indicates that RefChem:1090023 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1090023. Following Lipinski's Rule of Five, RefChem:1090023 has 0 hydrogen bond donor(s) and 5 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 RefChem:1090023?
The CAS number of RefChem:1090023 is 1638-53-5.
What is the molecular formula of RefChem:1090023?
The molecular formula of RefChem:1090023 is C21H26BrN3O4.
What is the molecular weight of RefChem:1090023?
The molecular weight of RefChem:1090023 is 463.11 g/mol.
Where can I buy RefChem:1090023?
You can request a quote for RefChem:1090023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090023?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.