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CAS 40846-94-4 DL-α-Lipoic Acid-NHS molecular structure lightbox
CAS RN: 40846-94-4

DL-α-Lipoic Acid-NHS

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 1g In stock Shanghai Inquiry
Batchno.20250618 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250710 5g In stock Shanghai Inquiry
  • Product code: SSC-149217
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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 40846-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

40846-94-4 / (2,5-dioxopyrrolidin-1-yl) 5-(dithiolan-3-yl)pentanoate

Standard CAS: 40846-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40846-94-4
Multi CAS
No
Molecular Formula
C12H17NO4S2
Molecular Weight
303.400000
Exact Mass
303.059900
InChI
InChI=1S/C12H17NO4S2/c14-10-5-6-11(15)13(10)17-12(16)4-2-1-3-9-7-8-18-19-9/h9H,1-8H2
InChIKey
WBCUIGFYTHUQHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
74.1
TPSA
63.68

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
1.1
Consensus LogP
1.82
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

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
2

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