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CAS 33588-54-4 5-BROMOINDOXYL DIACETATE molecular structure lightbox
CAS RN: 33588-54-4

5-BROMOINDOXYL DIACETATE

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 1g In stock Inquiry
Batchno.20260522 250mg In stock Inquiry
Batchno.20250627 5g Out of stock Inquiry
  • Product code: SSC-139737
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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: ≥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 33588-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

33588-54-4 / (1-acetyl-5-bromoindol-3-yl) acetate

Standard CAS: 33588-54-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33588-54-4
Multi CAS
Yes
Molecular Formula
BC12H10O3Rn
Molecular Weight
296.120000
Exact Mass
294.984410
InChI
InChI=1S/C12H10BrNO3/c1-7(15)14-6-12(17-8(2)16)10-5-9(13)3-4-11(10)14/h3-6H,1-2H3
InChIKey
XJRIDJAGAYGJCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.25
TPSA
48.3

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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