CAS RN: 204203-14-5
2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 204203-14-5
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
>98% |
2
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>98% |
2
In Stock
|
Shenzhen |
Inquiry |
| 1g |
>98% |
2
In Stock
|
Beijing |
Inquiry |
| 5g |
>98% |
2
In Stock
|
Hong Kong |
Inquiry |
| 10g |
>98% |
1
In Stock
|
Shanghai |
Inquiry |
204203-14-5 / N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
Standard CAS: 204203-14-5
Multi CAS: No
Basic Information
CAS
204203-14-5
Multi CAS
No
Molecular Formula
C33H43N3
Molecular Weight
481.700000
Exact Mass
481.345698
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C2=NC(=CC=C2)C(=NC3=C(C=CC=C3C(C)C)C(C)C)C
InChI
InChI=1S/C33H43N3/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8/h11-23H,1-10H3
InChIKey
NVPUVWBDTWBFRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
157.22
TPSA
37.61
LogP / Solubility
WLOGP
9.86
MLOGP
8.71
XLogP3
9.1
Consensus LogP
9.22
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4