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CAS 24159-36-2 Norepinephrine Tartrate Impurity 2 molecular structure lightbox
CAS RN: 24159-36-2

Norepinephrine Tartrate Impurity 2

  • Product code: SSC-117958
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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 24159-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

24159-36-2 / 2-amino-1-(3,4-dihydroxyphenyl)ethanesulfonic acid

Standard CAS: 24159-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24159-36-2
Multi CAS
No
Molecular Formula
C8H11NO5S
Molecular Weight
233.240000
Exact Mass
233.035794
SMILES
C1=CC(=C(C=C1C(CN)S(=O)(=O)O)O)O
InChI
InChI=1S/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
InChIKey
WJIJWGIAHLTTFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
53.12
TPSA
120.85

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.01
XLogP3
-4
Consensus LogP
-1.34
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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