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CAS 6933-90-0 Clorprenaline hydrochloride molecular structure lightbox
CAS RN: 6933-90-0

Clorprenaline hydrochloride

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3 package records1 with current stock3 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 1ml Out of stock 8-10 business days Inquiry
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Batchno.20250115 1ml Out of stock 8-10 business days Inquiry
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Batchno.20251014 2ml In stock Inquiry
  • Product code: starshine_CAS6933-90-0
  • Purity/Analytical Methods: >99.0%
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6933-90-0 / 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

Standard CAS: 6933-90-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6933-90-0
Multi CAS
Yes
Molecular Formula
C11H17CL2NO
Molecular Weight
250.160000
Exact Mass
249.068720
InChI
InChI=1S/C11H16ClNO.ClH/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;/h3-6,8,11,13-14H,7H2,1-2H3;1H
InChIKey
CPCPUCRSKRHVAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.8
TPSA
32.26

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

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

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