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CAS 126833-17-8 Fenhexamid molecular structure lightbox
CAS RN: 126833-17-8

Fenhexamid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shanghai Inquiry
Batchno.20250710 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260127 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250508 5g In stock Shenzhen Inquiry
  • Product code: ICTF0967
  • Purity/Analytical Methods: >98.0%(HPLC)
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126833-17-8 / N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

Standard CAS: 126833-17-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
126833-17-8
Multi CAS
No
Molecular Formula
C14H17Cl2NO2
Molecular Weight
302.200000
Exact Mass
301.063634
SMILES
CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
InChI
InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
InChIKey
VDLGAVXLJYLFDH-UHFFFAOYSA-N

Physical Properties

Melting Point
153 °C
Boiling Point
320 °C
Density
1.34 at 20 °C
Physical Description
White solid; [HSDB] Beige powder
Appearance
White powder Solid
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place. Storage class (TRGS 510): Non Combustible Solids.

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
77.95
TPSA
49.33

LogP / Solubility

WLOGP
4.61
MLOGP
4.07
XLogP3
4.4
Consensus LogP
4.36
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard Acute Toxic
Signal
Danger
GHS Hazard Statements
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H330: Fatal if inhaled [Danger Acute toxicity, inhalation] H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501 P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, and P501

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