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CAS 1786404-06-5 3,6-Dibromo-9-(3,4-dimethylphenyl)-9H-carbazole molecular structure lightbox
CAS RN: 1786404-06-5

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 200mg In stock Shanghai Inquiry
  • Product code: SSC-079503
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1786404-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

1786404-06-5 / 3,6-dibromo-9-(3,4-dimethylphenyl)carbazole

Standard CAS: 1786404-06-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1786404-06-5
Multi CAS
No
Molecular Formula
C20H15Br2N
Molecular Weight
429.100000
Exact Mass
428.955080
SMILES
CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)C
InChI
InChI=1S/C20H15Br2N/c1-12-3-6-16(9-13(12)2)23-19-7-4-14(21)10-17(19)18-11-15(22)5-8-20(18)23/h3-11H,1-2H3
InChIKey
LHMUFCSKYWXATD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
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
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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

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