CAS RN: 175736-84-2
3,6-didodecyl-9H-carbazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS175736-84-2
- Purity/Analytical Methods: >99.0%
175736-84-2 / 3,6-didodecyl-9H-carbazole
Basic Information
CAS
175736-84-2
Multi CAS
No
Molecular Formula
C36H57N
Molecular Weight
503.800000
Exact Mass
503.449101
SMILES
CCCCCCCCCCCCC1=CC2=C(C=C1)NC3=C2C=C(C=C3)CCCCCCCCCCCC
InChI
InChI=1S/C36H57N/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36(34)37-35)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37H,3-24H2,1-2H3
InChIKey
VLDIPIZQJJSIMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
22
H-bond donors
1
Molar refractivity
166.9
TPSA
15.79
LogP / Solubility
WLOGP
12.25
MLOGP
10.81
XLogP3
15.8
Consensus LogP
12.95
Log S (ESOL)
-9.49
Class (ESOL)
Insoluble
Log S (Ali)
-12.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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