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CAS 817637-79-9 Bis[2-(2′-bromoisobutyryloxy)ethyl]disulfide, liquid molecular structure lightbox
CAS RN: 817637-79-9

Bis[2-(2′-bromoisobutyryloxy)ethyl]disulfide, liquid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
Batchno.20250701 1g In stock Shanghai Inquiry
Batchno.20250602 250mg In stock Shanghai Inquiry
  • Product code: SSC-190103
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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 817637-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

817637-79-9 / 2-[2-(2-bromo-2-methylpropanoyl)oxyethyldisulfanyl]ethyl 2-bromo-2-methylpropanoate

Standard CAS: 817637-79-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
817637-79-9
Multi CAS
Yes
Molecular Formula
C12H20BR2O4S2
Molecular Weight
452.200000
Exact Mass
451.914930
InChI
InChI=1S/C12H20Br2O4S2/c1-11(2,13)9(15)17-5-7-19-20-8-6-18-10(16)12(3,4)14/h5-8H2,1-4H3
InChIKey
PXBWWYBXPGZCHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
92.85
TPSA
52.6

LogP / Solubility

WLOGP
3.8
MLOGP
3.38
XLogP3
3.5
Consensus LogP
3.56
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

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

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