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CAS 110488-70-5 Dimethomorph molecular structure lightbox
CAS RN: 110488-70-5

Dimethomorph

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251204 100mg In stock Inquiry
Batchno.20251210 25mg Out of stock Inquiry
  • Product code: SSC-011544
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 0.25g, 1g, 5g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110488-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

110488-70-5 / 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

Dimethomorph | Acrobat | DTXSID7034545

Standard CAS: 110488-70-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110488-70-5
Multi CAS
Yes
Molecular Formula
C21H22ClNO4
Molecular Weight
387.900000
Exact Mass
387.123736
SMILES
COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
InChIKey
QNBTYORWCCMPQP-UHFFFAOYSA-N
Synonyms
Dimethomorph Acrobat DTXSID7034545 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one Akrobat

Physical Properties

Melting Point
127-148 °C MP: 125-149 °C
Density
Bulk density: 1318 kg/cu m (20 °C)
Physical Description
Colorless odorless solid; [Merck Index]
Appearance
Colorless to grey crystalline powder
State
Solid
Storage Conditions
Store in secure, well ventilated building away from food and feed and out of reach of children. Do not contaminate water, food or feed by storage or disposal. ... Store in a cool, well-ventilated area. Do not allow to become overheated in storage. Keep container closed when not in use. /Acrobat 50WP Fungicide/

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
105.48
TPSA
48

LogP / Solubility

WLOGP
3.65
MLOGP
3.23
XLogP3
3.9
Consensus LogP
3.59
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H360F: May damage fertility [Danger Reproductive toxicity] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H360F (40.8%): May damage fertility [Danger Reproductive toxicity] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P273, P391, and P501 P203, P280, P318, P405, and P501

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