CAS RN: 335165-68-9

3,6-DIBROMO-ALPHA-(1-PIPERAZINYLMETHYL)-9H-CARBAZOLE-9-ETHANOL DIHYDROCHLORIDE

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11 package records11 with current stock3 grade groups
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Batchno.20260130 10mg In stock Inquiry
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Batchno.20260328 5mg / 10mg / 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS335165-68-9
  • Purity/Analytical Methods: >99.0%
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335165-68-9 / 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

Standard CAS: 335165-68-9 Multi CAS: Yes

Basic Information

CAS
335165-68-9
Multi CAS
Yes
Molecular Formula
C19H21BR2N3O
Molecular Weight
467.200000
Exact Mass
467.003090
InChI
InChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2
InChIKey
KUUJEXLRLIPQQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
110.16
TPSA
40.43

LogP / Solubility

WLOGP
3.59
MLOGP
3.19
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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