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CAS 95809-78-2 6,8-Bis(benzylthio)octanoic Acid molecular structure lightbox
CAS RN: 95809-78-2

6,8-Bis(benzylthio)octanoic Acid

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 5mg / 10mg / 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Hebei, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260210 1g In stock Shanghai Inquiry
Batchno.20250522 250mg In stock Shanghai Inquiry
Batchno.20250808 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 100mg In stock Inquiry
Batchno.20250226 10mg In stock Inquiry
Batchno.20260308 1mg In stock Inquiry
Batchno.20250602 25mg In stock Inquiry
Batchno.20250329 5mg In stock Inquiry
  • Product code: SSC-211471
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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 95809-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

95809-78-2 / 6,8-bis(benzylsulfanyl)octanoic acid

Standard CAS: 95809-78-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
95809-78-2
Multi CAS
Yes
Molecular Formula
C22H28O2S2
Molecular Weight
388.600000
Exact Mass
388.153072
InChI
InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
InChIKey
ZYRLHJIMTROTBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
114.85
TPSA
37.3

LogP / Solubility

WLOGP
6.26
MLOGP
5.53
XLogP3
5.5
Consensus LogP
5.76
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.94
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)
-0.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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