2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride
TL;DR: 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride (CAS 5316-98-3) is a chemical compound with molecular formula C13H17ClN2O5 and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride
Also Known As: NIOSH/QE3683500, 5057 HC, 2-morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride, 2-morpholin-4-ylethyl 4-nitrobenzoate Hydrochloride, 2-morpholin-4-ylethyl 4-nitrobenzoate,hydrochloride
| Molecular Formula | C13H17ClN2O5 |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 1.5056 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0826 |
| Heavy Atoms | 21 |
| Complexity | 473.9549 |
Chemical Identifiers
| CAS Number | 5316-98-3 |
|---|---|
| SMILES | C1COCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
Product Overview
2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride (CAS 5316-98-3), with molecular formula C13H17ClN2O5 and molecular weight 316.08 g/mol. IUPAC: 2-morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride.
Chemical Property Profile of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride
Property Insights of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride
The XLogP value of 1.5056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride. Following Lipinski's Rule of Five, 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride 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 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride?
The CAS number of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride is 5316-98-3.
What is the molecular formula of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride?
The molecular formula of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride is C13H17ClN2O5.
What is the molecular weight of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride?
The molecular weight of 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride is 316.08 g/mol.
Where can I buy 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride?
You can request a quote for 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Morpholin-4-ylethyl 4-nitrobenzoate;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.