CAS RN: 2442597-58-0

9-(2-Bromoethyl)-9H-carbazol-3-amine

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250425 100mg In stock Shanghai Inquiry
Batchno.20260322 1g Out of stock Inquiry
Batchno.20250614 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260116 50mg In stock Shanghai Inquiry
Batchno.20250123 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2442597-58-0
  • Purity/Analytical Methods: >99.0%
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2442597-58-0 / 9-(2-bromoethyl)carbazol-3-amine

Standard CAS: 2442597-58-0 Multi CAS: No

Basic Information

CAS
2442597-58-0
Multi CAS
No
Molecular Formula
C14H13BrN2
Molecular Weight
289.170000
Exact Mass
288.026210
SMILES
C1=CC=C2C(=C1)C3=C(N2CCBr)C=CC(=C3)N
InChI
InChI=1S/C14H13BrN2/c15-7-8-17-13-4-2-1-3-11(13)12-9-10(16)5-6-14(12)17/h1-6,9H,7-8,16H2
InChIKey
PJEQKDDWQSRRAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.65
TPSA
30.95

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3.4
Consensus LogP
3.5
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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