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CAS 243991-62-0 Pentaerythritol Tetrakis(2-bromoisobutyrate) molecular structure lightbox
CAS RN: 243991-62-0

Pentaerythritol Tetrakis(2-bromoisobutyrate)

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260610 1g Out of stock Inquiry
Batchno.20250308 250mg Out of stock Inquiry
Batchno.20250806 5g Out of stock Inquiry
  • Product code: SSC-118780
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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 243991-62-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

243991-62-0 / [3-(2-bromo-2-methylpropanoyl)oxy-2,2-bis[(2-bromo-2-methylpropanoyl)oxymethyl]propyl] 2-bromo-2-methylpropanoate

Standard CAS: 243991-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
243991-62-0
Multi CAS
No
Molecular Formula
C21H32Br4O8
Molecular Weight
732.100000
Exact Mass
731.878970
SMILES
CC(C)(C(=O)OCC(COC(=O)C(C)(C)Br)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br)Br
InChI
InChI=1S/C21H32Br4O8/c1-17(2,22)13(26)30-9-21(10-31-14(27)18(3,4)23,11-32-15(28)19(5,6)24)12-33-16(29)20(7,8)25/h9-12H2,1-8H3
InChIKey
QEVWEWLNSORHNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
138.29
TPSA
105.2

LogP / Solubility

WLOGP
4.84
MLOGP
4.32
XLogP3
5.4
Consensus LogP
4.85
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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