CAS RN: 204203-14-5

2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE

  • Product code: SSC-096055
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Verified Factory Data

Supply Overview & Packaging Options

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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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

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

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