烯酰吗啉
TL;DR: 烯酰吗啉 (CAS 110488-70-5) is a chemical compound with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烯酰吗啉
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
Also Known As: Dimethomorph, Acrobat, Dimethomorphe, Akrobat, Athlete
| Molecular Formula | C21H22ClNO4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.12375 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
| Melting Point | 127-148 °C |
| Density | Bulk density: 1318 kg/cu m (20 °C) |
| Solubility | In water (mg/L at 20 °C): 81.1 at pH 4; 49.2 at pH 7; 41.8 at pH 9 |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 110488-70-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC |
| InChIKey | QNBTYORWCCMPQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烯酰吗啉 (CAS 110488-70-5), with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol. IUPAC: 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
Chemical Property Profile of 烯酰吗啉
Property Insights of 烯酰吗啉
The XLogP value of 3.9 indicates that 烯酰吗啉 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 烯酰吗啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烯酰吗啉 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 烯酰吗啉?
The CAS number of 烯酰吗啉 is 110488-70-5.
What is the molecular formula of 烯酰吗啉?
The molecular formula of 烯酰吗啉 is C21H22ClNO4.
What is the molecular weight of 烯酰吗啉?
The molecular weight of 烯酰吗啉 is 387.12 g/mol.
Where can I buy 烯酰吗啉?
You can request a quote for 烯酰吗啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烯酰吗啉?
Yes, KEHONG BIO provides custom synthesis services for 烯酰吗啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.