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CAS 23592-74-7 2-ACETYLCARBAZOLE 98 molecular structure lightbox
CAS RN: 23592-74-7

2-ACETYLCARBAZOLE 98

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 1g In stock Shanghai Inquiry
Batchno.20250725 250mg In stock Shanghai Inquiry
Batchno.20260506 5g Out of stock Inquiry
  • Product code: starshine_CAS23592-74-7
  • Purity/Analytical Methods: >99.0%
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23592-74-7 / 1-(9H-carbazol-2-yl)ethanone

Standard CAS: 23592-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23592-74-7
Multi CAS
No
Molecular Formula
C14H11NO
Molecular Weight
209.240000
Exact Mass
209.084064
SMILES
CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C14H11NO/c1-9(16)10-6-7-12-11-4-2-3-5-13(11)15-14(12)8-10/h2-8,15H,1H3
InChIKey
UTQDTPYWVOXWMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.81
TPSA
32.86

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

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

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