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CAS 130525-43-8 4,5-DIBROMO-2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE molecular structure lightbox
CAS RN: 130525-43-8

4,5-DIBROMO-2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-037137
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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 130525-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

130525-43-8 / 4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene

Standard CAS: 130525-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130525-43-8
Multi CAS
No
Molecular Formula
C23H28Br2O
Molecular Weight
480.300000
Exact Mass
480.048640
SMILES
CC1(C2=C(C(=CC(=C2)C(C)(C)C)Br)OC3=C1C=C(C=C3Br)C(C)(C)C)C
InChI
InChI=1S/C23H28Br2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,1-8H3
InChIKey
OJJSJAIHWCFVBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
117.89
TPSA
9.23

LogP / Solubility

WLOGP
8.24
MLOGP
7.28
XLogP3
9.1
Consensus LogP
8.21
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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