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CAS 1221237-83-7 3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole molecular structure lightbox
CAS RN: 1221237-83-7

3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 250mg / 1g / 5g / 25g Confirm by inquiry Chongqing, Shanghai Inquiry
  • Product code: SSC-025057
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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 1221237-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

1221237-83-7 / 3,6-dibromo-9-naphthalen-2-ylcarbazole

Standard CAS: 1221237-83-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1221237-83-7
Multi CAS
No
Molecular Formula
C22H13Br2N
Molecular Weight
451.200000
Exact Mass
450.939430
SMILES
C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)Br)C5=C3C=CC(=C5)Br
InChI
InChI=1S/C22H13Br2N/c23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18/h1-13H
InChIKey
ZPMPPIIUVAZBBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
23
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
113.69
TPSA
4.93

LogP / Solubility

WLOGP
7.46
MLOGP
6.6
XLogP3
7.6
Consensus LogP
7.22
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
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)
-0.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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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