CAS RN: 4041-21-8
9H-Carbazole, 9-hexyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4041-21-8
- Purity/Analytical Methods: >99.0%
4041-21-8 / 9-hexylcarbazole
Basic Information
CAS
4041-21-8
Multi CAS
No
Molecular Formula
C18H21N
Molecular Weight
251.400000
Exact Mass
251.167400
InChI
InChI=1S/C18H21N/c1-2-3-4-9-14-19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-13H,2-4,9,14H2,1H3
InChIKey
SHUQFBKCOHURJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
83.59
TPSA
4.93
LogP / Solubility
WLOGP
5.37
MLOGP
4.74
XLogP3
5.6
Consensus LogP
5.24
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
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)
-0.44
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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