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CAS 590-47-6 Betaine monohydrate molecular structure lightbox
CAS RN: 590-47-6

Betaine monohydrate

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250321 100g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251009 10kg Out of stock 5-7 business days Inquiry
Batchno.20250802 2.5kg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250216 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-167366
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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: 100g
  • 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 590-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

590-47-6 / carboxymethyl(trimethyl)azanium hydroxide

Standard CAS: 590-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
590-47-6
Multi CAS
Yes
Molecular Formula
C5H13NO3
Molecular Weight
135.160000
Exact Mass
135.089543
InChI
InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKey
NJZRLXNBGZBREL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.47
TPSA
67.3

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.4
Consensus LogP
-0.39
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

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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