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CAS 285979-70-6 CHOLINE-1,1,2,2-D4 CHLORIDE molecular structure lightbox
CAS RN: 285979-70-6

CHOLINE-1,1,2,2-D4 CHLORIDE

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg In stock Shanghai Inquiry
Batchno.20250908 10mg In stock Shanghai Inquiry
Batchno.20250110 250mg In stock Shanghai Inquiry
Batchno.20251130 25mg In stock Shanghai Inquiry
Batchno.20251110 50mg In stock Shanghai Inquiry
Batchno.20250413 5mg In stock Shanghai Inquiry
  • Product code: SSC-130047
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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: 0.25g
  • 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 285979-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

285979-70-6 / trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium chloride

Standard CAS: 285979-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
285979-70-6
Multi CAS
No
Molecular Formula
C5H14CLNO
Molecular Weight
143.650000
Exact Mass
143.101499
InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
InChIKey
SGMZJAMFUVOLNK-HGFPCDIYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.99
TPSA
20.23

LogP / Solubility

WLOGP
-3.31
MLOGP
-2.92
XLogP3
-3.31
Consensus LogP
-3.18
Log S (ESOL)
1.51
Class (ESOL)
Highly soluble
Log S (Ali)
1.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.94
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.92

Drug-likeness / Medicinal Chemistry

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

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