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CAS 22815-98-1 2-(4-chlorophenyl)-5-Methyl-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 22815-98-1

2-(4-chlorophenyl)-5-Methyl-1,3,4-oxadiazole

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260117 100mg In stock Shanghai Inquiry
Batchno.20260424 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260409 1g In stock Shanghai Inquiry
Batchno.20260407 250mg In stock Shanghai Inquiry
Batchno.20250326 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS22815-98-1
  • Purity/Analytical Methods: >99.0%
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22815-98-1 / 2-(4-chlorophenyl)-5-methyl-1,3,4-oxadiazole

Standard CAS: 22815-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22815-98-1
Multi CAS
No
Molecular Formula
C9H7ClN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
CC1=NN=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H7ClN2O/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKey
IWHCZNKJMUMKTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.48
TPSA
38.92

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

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