CAS 2828444-14-8 2,2′-Bi-1H-imidazole, 4,4′,5,5′-tetrahydro-1,1′-bis(4-methylphenyl)-4,4′-bis(2-methylpropyl)-, (4S,4’S)- molecular structure

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CAS RN: 2828444-14-8

2,2′-Bi-1H-imidazole, 4,4′,5,5′-tetrahydro-1,1′-bis(4-methylphenyl)-4,4′-bis(2-methylpropyl)-, (4S,4’S)-

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4 package records3 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250928	100mg	In stock	Shanghai, Tianjin		Inquiry
Batchno.20250723	100mg / 250mg / 1g	Out of stock		5-7 business days	Inquiry
Batchno.20251209	1g	In stock	Shanghai		Inquiry
Batchno.20250203	250mg	In stock	Shanghai		Inquiry

Product code: starshine_CAS2828444-14-8
Purity/Analytical Methods: >99.0%

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2828444-14-8 / (4S)-1-(4-methylphenyl)-2-[(4S)-1-(4-methylphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-4-(2-methylpropyl)-4,5-dihydroimidazole

Standard CAS: 2828444-14-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

2828444-14-8

Multi CAS

Molecular Formula

C28H38N4

Molecular Weight

430.600000

Exact Mass

430.309647

SMILES

CC1=CC=C(C=C1)N2C[C@@H](N=C2C3=N[C@H](CN3C4=CC=C(C=C4)C)CC(C)C)CC(C)C

InChI

InChI=1S/C28H38N4/c1-19(2)15-23-17-31(25-11-7-21(5)8-12-25)27(29-23)28-30-24(16-20(3)4)18-32(28)26-13-9-22(6)10-14-26/h7-14,19-20,23-24H,15-18H2,1-6H3/t23-,24-/m0/s1

InChIKey

MAXOSVLQOCQDPA-ZEQRLZLVSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.5

Rotatable bonds

H-bond acceptors

Molar refractivity

138.41

TPSA

31.2

LogP / Solubility

WLOGP

6.27

MLOGP

5.55

XLogP3

6.3

Consensus LogP

6.04

Log S (ESOL)

-6.28

Class (ESOL)

Insoluble

Log S (Ali)

-7.62

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.5

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.9

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2,2′-Bi-1H-imidazole, 4,4′,5,5′-tetrahydro-1,1′-bis(4-methylphenyl)-4,4′-bis(2-methylpropyl)-, (4S,4’S)-

Product Availability

2828444-14-8 / (4S)-1-(4-methylphenyl)-2-[(4S)-1-(4-methylphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-4-(2-methylpropyl)-4,5-dihydroimidazole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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