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CAS 118599-27-2 9-Benzyl-3,6-dibromocarbazole molecular structure lightbox
CAS RN: 118599-27-2

9-Benzyl-3,6-dibromocarbazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018440
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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: 25g
  • Available purity: ≥98%
  • 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 118599-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

118599-27-2 / 9-benzyl-3,6-dibromocarbazole

N-benzyl-3,6-dibromocarbazole | DTXSID00384337 | RefChem:363302

Standard CAS: 118599-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118599-27-2
Multi CAS
No
Molecular Formula
C19H13Br2N
Molecular Weight
415.100000
Exact Mass
414.939430
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C19H13Br2N/c20-14-6-8-18-16(10-14)17-11-15(21)7-9-19(17)22(18)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
QVFWRFBJSIUPAD-UHFFFAOYSA-N
Synonyms
N-benzyl-3,6-dibromocarbazole DTXSID00384337 RefChem:363302 DTXCID20335361 9-benzyl-3,6-dibromocarbazole

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
100.39
TPSA
4.93

LogP / Solubility

WLOGP
6.37
MLOGP
5.63
XLogP3
6.3
Consensus LogP
6.1
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-0.73

Drug-likeness / Medicinal Chemistry

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

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