CAS RN: 183718-72-1
9H-Carbazole-3-carboxaldehyde, 9-hexyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS183718-72-1
- Purity/Analytical Methods: >99.0%
183718-72-1 / 9-hexylcarbazole-3-carbaldehyde
Basic Information
CAS
183718-72-1
Multi CAS
No
Molecular Formula
C19H21NO
Molecular Weight
279.400000
Exact Mass
279.162314
SMILES
CCCCCCN1C2=C(C=C(C=C2)C=O)C3=CC=CC=C31
InChI
InChI=1S/C19H21NO/c1-2-3-4-7-12-20-18-9-6-5-8-16(18)17-13-15(14-21)10-11-19(17)20/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChIKey
QKWDUHTZIRIELI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
88.97
TPSA
22
LogP / Solubility
WLOGP
5.19
MLOGP
4.57
XLogP3
5.1
Consensus LogP
4.95
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
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)
-0.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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