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CAS 90772-88-6 5-(1-CHLOROETHYL)-3-PHENYL-1,2,4-OXADIAZOLE molecular structure lightbox
CAS RN: 90772-88-6

5-(1-CHLOROETHYL)-3-PHENYL-1,2,4-OXADIAZOLE

  • Product code: SSC-203406
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90772-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

90772-88-6 / 5-(1-chloroethyl)-3-phenyl-1,2,4-oxadiazole

Standard CAS: 90772-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90772-88-6
Multi CAS
No
Molecular Formula
C10H9CLN2O
Molecular Weight
208.640000
Exact Mass
208.040341
InChI
InChI=1S/C10H9ClN2O/c1-7(11)10-12-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
WLWPNBHEEVRYRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54
TPSA
38.92

LogP / Solubility

WLOGP
3.04
MLOGP
2.67
XLogP3
2.6
Consensus LogP
2.77
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

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
2

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