Dimethomorph
TL;DR: Dimethomorph (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.
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
Dimethomorph (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 Dimethomorph
Property Insights of Dimethomorph
The XLogP value of 3.9 indicates that Dimethomorph is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Dimethomorph exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethomorph 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 Dimethomorph?
The CAS number of Dimethomorph is 110488-70-5.
What is the molecular formula of Dimethomorph?
The molecular formula of Dimethomorph is C21H22ClNO4.
What is the molecular weight of Dimethomorph?
The molecular weight of Dimethomorph is 387.12 g/mol.
Where can I buy Dimethomorph?
You can request a quote for Dimethomorph directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethomorph?
Yes, KEHONG BIO provides custom synthesis services for Dimethomorph and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.