Dimethomorph E
TL;DR: Dimethomorph E (CAS 113210-97-2) 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.
(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
Also Known As: Dimethomorph, (E)-Dimethomorph, Dimethomorph E, E-Dimethomorph, Dimethomorphe
| Molecular Formula | C21H22ClNO4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 3.6477 |
| 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 | 826.5753 |
Chemical Identifiers
| CAS Number | 113210-97-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC |
Product Overview
Dimethomorph E (CAS 113210-97-2), with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
Chemical Property Profile of Dimethomorph E
Property Insights of Dimethomorph E
The XLogP value of 3.6477 indicates that Dimethomorph E 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 E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethomorph E 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 E?
The CAS number of Dimethomorph E is 113210-97-2.
What is the molecular formula of Dimethomorph E?
The molecular formula of Dimethomorph E is C21H22ClNO4.
What is the molecular weight of Dimethomorph E?
The molecular weight of Dimethomorph E is 387.12 g/mol.
Where can I buy Dimethomorph E?
You can request a quote for Dimethomorph E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethomorph E?
Yes, KEHONG BIO provides custom synthesis services for Dimethomorph E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.