4-(2-Chloropropanoyl)morpholine
TL;DR: 4-(2-Chloropropanoyl)morpholine (CAS 54022-76-3) is a chemical compound with molecular formula C7H12ClNO2 and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-morpholin-4-ylpropan-1-one
Also Known As: 4-(2-Chloropropanoyl)morpholine, Morpholine,4- -, 2-chloro-1-morpholinopropan-1-one, 2-chloro-1-morpholin-4-ylpropan-1-one, 2-CHLORO-1-(MORPHOLIN-4-YL)PROPAN-1-ONE
| Molecular Formula | C7H12ClNO2 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05565 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 54022-76-3 |
|---|---|
| SMILES | CC(C(=O)N1CCOCC1)Cl |
| InChIKey | QAGATHCAVJHHGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Chloropropanoyl)morpholine (CAS 54022-76-3), with molecular formula C7H12ClNO2 and molecular weight 177.06 g/mol. IUPAC: 2-chloro-1-morpholin-4-ylpropan-1-one.
Chemical Property Profile of 4-(2-Chloropropanoyl)morpholine
Property Insights of 4-(2-Chloropropanoyl)morpholine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloropropanoyl)morpholine. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(2-Chloropropanoyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloropropanoyl)morpholine has 0 hydrogen bond donor(s) and 2 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-(2-Chloropropanoyl)morpholine?
The CAS number of 4-(2-Chloropropanoyl)morpholine is 54022-76-3.
What is the molecular formula of 4-(2-Chloropropanoyl)morpholine?
The molecular formula of 4-(2-Chloropropanoyl)morpholine is C7H12ClNO2.
What is the molecular weight of 4-(2-Chloropropanoyl)morpholine?
The molecular weight of 4-(2-Chloropropanoyl)morpholine is 177.06 g/mol.
Where can I buy 4-(2-Chloropropanoyl)morpholine?
You can request a quote for 4-(2-Chloropropanoyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloropropanoyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloropropanoyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.