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CAS 2460-77-7 2,5-Di-tert-butyl-1,4-benzoquinone molecular structure lightbox
CAS RN: 2460-77-7

2,5-Di-tert-butyl-1,4-benzoquinone

Product Availability

Choose a grade to view its available package options.

15 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 100g In stock Inquiry
Batchno.20260322 1g In stock Inquiry
Batchno.20250227 25g In stock Inquiry
Batchno.20251227 500g In stock Inquiry
Batchno.20250216 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260105 100g In stock Shanghai Inquiry
Batchno.20250911 100g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260426 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250306 1kg Out of stock Inquiry
Batchno.20250820 25g In stock Shanghai, Shandong Inquiry
Batchno.20250723 25g Out of stock Inquiry
Batchno.20260606 500g Out of stock 8-10 business days Inquiry
Batchno.20250827 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260620 5g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250729 5g Out of stock Inquiry
  • Product code: SSC-119417
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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: 100g
  • 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 2460-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

2460-77-7 / 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione

Standard CAS: 2460-77-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2460-77-7
Multi CAS
No
Molecular Formula
C14H20O2
Molecular Weight
220.310000
Exact Mass
220.146330
SMILES
CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
InChI
InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
InChIKey
ZZYASVWWDLJXIM-UHFFFAOYSA-N

Physical Properties

Melting Point
152.5 °C
Physical Description
Yellow solid; [HSDB] Yellow crystalline powder
Appearance
YELLOW CRYSTALS FROM ALCOHOL
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.09
TPSA
34.14

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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