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CAS 53146-48-8 5-tert-butyl-1,3-benzoxazole-2-thiol molecular structure lightbox
CAS RN: 53146-48-8

5-tert-butyl-1,3-benzoxazole-2-thiol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160345
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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: ＞97%
  • 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 53146-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

53146-48-8 / 5-tert-butyl-3H-1,3-benzoxazole-2-thione

Standard CAS: 53146-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53146-48-8
Multi CAS
No
Molecular Formula
C11H13NOS
Molecular Weight
207.290000
Exact Mass
207.071785
InChI
InChI=1S/C11H13NOS/c1-11(2,3)7-4-5-9-8(6-7)12-10(14)13-9/h4-6H,1-3H3,(H,12,14)
InChIKey
OIOGHWZPVMHTEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.1
TPSA
28.93

LogP / Solubility

WLOGP
3.79
MLOGP
3.33
XLogP3
3.4
Consensus LogP
3.51
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-1.3

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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