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CAS 21898-19-1 Clenbuterol Hydrochloride molecular structure lightbox
CAS RN: 21898-19-1

Clenbuterol Hydrochloride

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260401 0.5ml In stock Inquiry
Batchno.20260501 1.2ml In stock Inquiry
Batchno.20260408 2ml In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250701 10mg In stock Inquiry
Batchno.20250525 2mg In stock Inquiry
Batchno.20250819 50mg In stock Inquiry
  • Product code: ICTC2691
  • Purity/Analytical Methods: >97.0%(HPLC)(N)
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21898-19-1 / 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride

Standard CAS: 21898-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21898-19-1
Multi CAS
No
Molecular Formula
C12H19Cl3N2O
Molecular Weight
313.600000
Exact Mass
312.056296
SMILES
CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
InChI
InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
InChIKey
OPXKTCUYRHXSBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
80.84
TPSA
58.28

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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