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CAS 7421-93-4 ENDRIN ALDEHYDE molecular structure lightbox
CAS RN: 7421-93-4

ENDRIN ALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 1ml Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7421-93-4
  • Purity/Analytical Methods: >99.0%
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7421-93-4 / 3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde

Standard CAS: 7421-93-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7421-93-4
Multi CAS
Yes
Molecular Formula
C12H8CL6O
Molecular Weight
380.900000
Exact Mass
379.867681
InChI
InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2
InChIKey
HCTWZIFNBBCVGM-UHFFFAOYSA-N

Physical Properties

Melting Point
Melting point: 235 °C, with decomposition
Physical Description
Endrin aldehyde is a solid. Solid; [CAMEO]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
76.9
TPSA
17.07

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3
Consensus LogP
3.39
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

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
9

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