4-(5-Chloro-2-nitrobenzyl)morpholine
TL;DR: 4-(5-Chloro-2-nitrobenzyl)morpholine (CAS 416896-65-6) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-nitrophenyl)methyl]morpholine
Also Known As: 4-(5-chloro-2-nitrobenzyl)morpholine, 4-[(5-chloro-2-nitrophenyl)methyl]morpholine, 4-[(5-chloro-2-nitro-phenyl)methyl]morpholine, AB00085240-01
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 416896-65-6 |
|---|---|
| SMILES | C1COCCN1CC2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
| InChIKey | NOYOFRMLCQBGPG-UHFFFAOYSA-N |
Product Overview
4-(5-Chloro-2-nitrobenzyl)morpholine (CAS 416896-65-6), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: 4-[(5-chloro-2-nitrophenyl)methyl]morpholine.
Chemical Property Profile of 4-(5-Chloro-2-nitrobenzyl)morpholine
Property Insights of 4-(5-Chloro-2-nitrobenzyl)morpholine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Chloro-2-nitrobenzyl)morpholine. With a topological polar surface area (TPSA) of 58.3 Ų, 4-(5-Chloro-2-nitrobenzyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Chloro-2-nitrobenzyl)morpholine has 0 hydrogen bond donor(s) and 4 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-(5-Chloro-2-nitrobenzyl)morpholine?
The CAS number of 4-(5-Chloro-2-nitrobenzyl)morpholine is 416896-65-6.
What is the molecular formula of 4-(5-Chloro-2-nitrobenzyl)morpholine?
The molecular formula of 4-(5-Chloro-2-nitrobenzyl)morpholine is C11H13ClN2O3.
What is the molecular weight of 4-(5-Chloro-2-nitrobenzyl)morpholine?
The molecular weight of 4-(5-Chloro-2-nitrobenzyl)morpholine is 256.06 g/mol.
Where can I buy 4-(5-Chloro-2-nitrobenzyl)morpholine?
You can request a quote for 4-(5-Chloro-2-nitrobenzyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chloro-2-nitrobenzyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chloro-2-nitrobenzyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.