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CAS 98063-21-9 (r)-Aminocarnitine molecular structure lightbox
CAS RN: 98063-21-9

(r)-Aminocarnitine

  • Product code: SSC-212527
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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 98063-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

98063-21-9 / (3R)-3-amino-4-(trimethylazaniumyl)butanoate

Standard CAS: 98063-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98063-21-9
Multi CAS
Yes
Molecular Formula
C7H16N2O2
Molecular Weight
160.210000
Exact Mass
160.121178
InChI
InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKey
DAWBGYHPBBDHMQ-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.5
TPSA
66.15

LogP / Solubility

WLOGP
-1.84
MLOGP
-1.62
XLogP3
-2.7
Consensus LogP
-2.05
Log S (ESOL)
0.59
Class (ESOL)
Highly soluble
Log S (Ali)
0.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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

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
2

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