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CAS 51-30-9 Isoproterenol Hydrochloride molecular structure lightbox
CAS RN: 51-30-9

Isoproterenol Hydrochloride

  • Product code: SSC-157752
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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: 5g
  • 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 51-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

51-30-9 / 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride

Standard CAS: 51-30-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51-30-9
Multi CAS
Yes
Molecular Formula
C11H18CLNO3
Molecular Weight
247.720000
Exact Mass
247.097521
InChI
InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
InChIKey
IROWCYIEJAOFOW-UHFFFAOYSA-N

Physical Properties

Melting Point
338 to 340 °F (NTP, 1992)
Physical Description
Isoproterenol hydrochloride is an odorless white crystalline powder. Slightly bitter taste. Aqueous solutions turn brownish-pink upon prolonged exposure to air. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
65.12
TPSA
72.72

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-3.13

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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