CAS 1873362-96-9 3,6-Dibromo-9-(2,4-dimethylphenyl)-9H-carbazole molecular structure

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CAS RN: 1873362-96-9

3,6-Dibromo-9-(2,4-dimethylphenyl)-9H-carbazole

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4 package records0 with current stock2 grade groups

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Batchno.20260516	100mg / 250mg / 1g	Out of stock	15 business days	Inquiry

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Product code: ICTD5419
Purity/Analytical Methods: >96.0%(T)(HPLC)

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1873362-96-9 / 3,6-dibromo-9-(2,4-dimethylphenyl)carbazole

Standard CAS: 1873362-96-9 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1873362-96-9

Multi CAS

Molecular Formula

C20H15Br2N

Molecular Weight

429.100000

Exact Mass

428.955080

SMILES

CC1=CC(=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)C

InChI

InChI=1S/C20H15Br2N/c1-12-3-6-18(13(2)9-12)23-19-7-4-14(21)10-16(19)17-11-15(22)5-8-20(17)23/h3-11H,1-2H3

InChIKey

COGSJUPRJUPYDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

Molar refractivity

105.66

TPSA

4.93

LogP / Solubility

WLOGP

6.93

MLOGP

6.12

XLogP3

7.1

Consensus LogP

6.72

Log S (ESOL)

-7.41

Class (ESOL)

Insoluble

Log S (Ali)

-8.08

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.32

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.42

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

3,6-Dibromo-9-(2,4-dimethylphenyl)-9H-carbazole

Product Availability

1873362-96-9 / 3,6-dibromo-9-(2,4-dimethylphenyl)carbazole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Safety & Transport

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