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CAS 3998-04-7 9-ALLYLCARBAZOLE molecular structure lightbox
CAS RN: 3998-04-7

9-ALLYLCARBAZOLE

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 10g In stock Tianjin Inquiry
Batchno.20260320 1g In stock Shanghai Inquiry
Batchno.20251123 250mg In stock Shanghai Inquiry
Batchno.20260301 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251023 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS3998-04-7
  • Purity/Analytical Methods: >99.0%
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3998-04-7 / 9-prop-2-enylcarbazole

Standard CAS: 3998-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3998-04-7
Multi CAS
No
Molecular Formula
C15H13N
Molecular Weight
207.270000
Exact Mass
207.104799
InChI
InChI=1S/C15H13N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h2-10H,1,11H2
InChIKey
GHBQLFWTMLRYKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
69.64
TPSA
4.93

LogP / Solubility

WLOGP
3.98
MLOGP
3.5
XLogP3
4.1
Consensus LogP
3.86
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

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

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