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CAS 33575-81-4 2-(CHLOROMETHYL)-5-(3,4-DICHLOROPHENYL)-1,3,4-OXADIAZOLE molecular structure lightbox
CAS RN: 33575-81-4

2-(CHLOROMETHYL)-5-(3,4-DICHLOROPHENYL)-1,3,4-OXADIAZOLE

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4 package records0 with current stock1 grade group
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Batchno.20250814 100mg Out of stock Inquiry
Batchno.20251105 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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Batchno.20250721 250mg Out of stock Inquiry
  • Product code: starshine_CAS33575-81-4
  • Purity/Analytical Methods: >99.0%
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33575-81-4 / 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole

Standard CAS: 33575-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33575-81-4
Multi CAS
No
Molecular Formula
C9H5CL3N2O
Molecular Weight
263.500000
Exact Mass
261.946746
InChI
InChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKey
NTJXILNOEFQNJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.31
TPSA
38.92

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.1
Consensus LogP
3.41
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

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

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