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CAS 2138-98-9 2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 2138-98-9

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

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2138-98-9
  • Purity/Analytical Methods: >99.0%
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2138-98-9 / 5-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine

Standard CAS: 2138-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2138-98-9
Multi CAS
No
Molecular Formula
C8H6ClN3O
Molecular Weight
195.600000
Exact Mass
195.019940
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
VVKFAXPORKOLTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.16
TPSA
64.94

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-2.51

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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