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CAS 108793-90-4 9-METHYL-9 H-CARBAZOLE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 108793-90-4

9-METHYL-9 H-CARBAZOLE-2-CARBALDEHYDE

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Batchno.20260124 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS108793-90-4
  • Purity/Analytical Methods: >99.0%
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108793-90-4 / 9-methylcarbazole-2-carbaldehyde

9-Methyl-9H-carbazole-2-carbaldehyde | 9-methylcarbazole-2-carbaldehyde | 9-methyl-9 h-carbazole-2-carbaldehyde

Standard CAS: 108793-90-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108793-90-4
Multi CAS
Yes
Molecular Formula
C14H11NO
Molecular Weight
209.240000
Exact Mass
209.084064
SMILES
CN1C2=CC=CC=C2C3=C1C=C(C=C3)C=O
InChI
InChI=1S/C14H11NO/c1-15-13-5-3-2-4-11(13)12-7-6-10(9-16)8-14(12)15/h2-9H,1H3
InChIKey
QOBHAZPUGZRPSV-UHFFFAOYSA-N
Synonyms
9-Methyl-9H-carbazole-2-carbaldehyde 9-methylcarbazole-2-carbaldehyde 9-methyl-9 h-carbazole-2-carbaldehyde MFCD04109418 YSCK0654

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
65.81
TPSA
22

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-1.76

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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