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CAS 46499-01-8 3-Bromo-9-vinyl-9H-carbazole molecular structure lightbox
CAS RN: 46499-01-8

3-Bromo-9-vinyl-9H-carbazole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
  • Product code: ICTB5639
  • Purity/Analytical Methods: >98.0%(GC)
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46499-01-8 / 3-bromo-9-ethenylcarbazole

Standard CAS: 46499-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46499-01-8
Multi CAS
No
Molecular Formula
BC14H10Rn
Molecular Weight
272.140000
Exact Mass
270.999660
InChI
InChI=1S/C14H10BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h2-9H,1H2
InChIKey
DLLOBIBTOUBQQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
73.53
TPSA
4.93

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.07

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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