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CAS 1484-08-8 9-butyl-9H-carbazole molecular structure lightbox
CAS RN: 1484-08-8

9-butyl-9H-carbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1484-08-8
  • Purity/Analytical Methods: >99.0%
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1484-08-8 / 9-butylcarbazole

Standard CAS: 1484-08-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1484-08-8
Multi CAS
No
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
SMILES
CCCCN1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3
InChIKey
SQFONLULGFXJAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
74.35
TPSA
4.93

LogP / Solubility

WLOGP
4.59
MLOGP
4.05
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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