Dichloroacetic acid, morpholide
TL;DR: Dichloroacetic acid, morpholide (CAS 5139-22-0) is a chemical compound with molecular formula C6H9Cl2NO2 and molecular weight 197.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-morpholin-4-ylethanone
Also Known As: Dichloroacetic acid, morpholide, N-dichloroacetylmorpholine, 4-(Dichloroacetyl)morpholine, Morpholino(dichloromethyl) ketone, 2,2-dichloro-1-morpholin-4-ylethanone
| Molecular Formula | C6H9Cl2NO2 |
|---|---|
| Molecular Weight | 197.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.00104 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 5139-22-0 |
|---|---|
| SMILES | C1COCCN1C(=O)C(Cl)Cl |
| InChIKey | SPDHGKQMFGYCHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloroacetic acid, morpholide (CAS 5139-22-0), with molecular formula C6H9Cl2NO2 and molecular weight 197.00 g/mol. IUPAC: 2,2-dichloro-1-morpholin-4-ylethanone.
Chemical Property Profile of Dichloroacetic acid, morpholide
Property Insights of Dichloroacetic acid, morpholide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetic acid, morpholide. With a topological polar surface area (TPSA) of 29.5 Ų, Dichloroacetic acid, morpholide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetic acid, morpholide 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 Dichloroacetic acid, morpholide?
The CAS number of Dichloroacetic acid, morpholide is 5139-22-0.
What is the molecular formula of Dichloroacetic acid, morpholide?
The molecular formula of Dichloroacetic acid, morpholide is C6H9Cl2NO2.
What is the molecular weight of Dichloroacetic acid, morpholide?
The molecular weight of Dichloroacetic acid, morpholide is 197.00 g/mol.
Where can I buy Dichloroacetic acid, morpholide?
You can request a quote for Dichloroacetic acid, morpholide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroacetic acid, morpholide?
Yes, KEHONG BIO provides custom synthesis services for Dichloroacetic acid, morpholide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.