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CAS 55-27-6 DL-NORADRENALINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 55-27-6

DL-NORADRENALINE HYDROCHLORIDE

  • Product code: SSC-162830
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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 55-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55-27-6 / 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol;hydrochloride

Standard CAS: 55-27-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55-27-6
Multi CAS
Yes
Molecular Formula
C8H12CLNO3
Molecular Weight
205.640000
Exact Mass
205.050571
InChI
InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H
InChIKey
FQTFHMSZCSUVEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.03
TPSA
86.71

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.51
Consensus LogP
0.49
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.61

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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