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CAS 1228427-76-6 2-[(2-Hydroxyethyl)disulfanyl]ethyl 2-Bromo-2-methylpropionate molecular structure lightbox
CAS RN: 1228427-76-6

2-[(2-Hydroxyethyl)disulfanyl]ethyl 2-Bromo-2-methylpropionate

Product Availability

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5 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 100mg Out of stock Inquiry
Batchno.20250531 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 100mg Out of stock Inquiry
Batchno.20251222 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-026388
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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 1228427-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1228427-76-6 / 2-(2-hydroxyethyldisulfanyl)ethyl 2-bromo-2-methylpropanoate

Standard CAS: 1228427-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228427-76-6
Multi CAS
No
Molecular Formula
C8H15BrO3S2
Molecular Weight
303.200000
Exact Mass
301.964600
SMILES
CC(C)(C(=O)OCCSSCCO)Br
InChI
InChI=1S/C8H15BrO3S2/c1-8(2,9)7(11)12-4-6-14-13-5-3-10/h10H,3-6H2,1-2H3
InChIKey
XOYBOVVEAZCGEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.97
TPSA
46.53

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
1.5
Consensus LogP
1.81
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly 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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

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