CAS RN: 67707-09-9
9-butyl-9H-carbazole-3-carbaldehyde
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.20251017 | 1g | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS67707-09-9
- Purity/Analytical Methods: >99.0%
67707-09-9 / 9-butylcarbazole-3-carbaldehyde
Basic Information
CAS
67707-09-9
Multi CAS
No
Molecular Formula
C17H17NO
Molecular Weight
251.320000
Exact Mass
251.131014
InChI
InChI=1S/C17H17NO/c1-2-3-10-18-16-7-5-4-6-14(16)15-11-13(12-19)8-9-17(15)18/h4-9,11-12H,2-3,10H2,1H3
InChIKey
MNLZGFHCFGWITO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
79.74
TPSA
22
LogP / Solubility
WLOGP
4.41
MLOGP
3.88
XLogP3
4
Consensus LogP
4.1
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
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)
-1.12
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
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