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CAS 85292-45-1 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)BENZOIC ACID molecular structure lightbox
CAS RN: 85292-45-1

4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)BENZOIC ACID

  • Product code: SSC-193630
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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: 1g
  • 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 85292-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

85292-45-1 / 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

Standard CAS: 85292-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85292-45-1
Multi CAS
No
Molecular Formula
C15H10N2O3
Molecular Weight
266.250000
Exact Mass
266.069142
InChI
InChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKey
KJSLGQIRTJNTKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.13
TPSA
76.22

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
2.6
Consensus LogP
2.81
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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