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CAS 324523-20-8 2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride molecular structure lightbox
CAS RN: 324523-20-8

2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 100mg In stock Shanghai Inquiry
Batchno.20250919 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250705 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260306 250mg In stock Shanghai Inquiry
Batchno.20250918 25mg In stock Shanghai Inquiry
Batchno.20251114 50mg In stock Shanghai Inquiry
Batchno.20260425 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS324523-20-8
  • Purity/Analytical Methods: >99.0%
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324523-20-8 / 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochloride

Standard CAS: 324523-20-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
324523-20-8
Multi CAS
Yes
Molecular Formula
C24H26CL2N2O2
Molecular Weight
445.400000
Exact Mass
444.137134
InChI
InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
InChIKey
ZEBNDUQLNGYBNL-VEIFNGETSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
124.65
TPSA
65.28

LogP / Solubility

WLOGP
5.14
MLOGP
4.55
XLogP3
5.14
Consensus LogP
4.94
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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