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CAS 1173071-58-3 2,7-Dibromo-9-heptyl-9H-carbazole molecular structure lightbox
CAS RN: 1173071-58-3

2,7-Dibromo-9-heptyl-9H-carbazole

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 1g In stock Inquiry
Batchno.20260518 5g In stock Inquiry
  • Product code: SSC-017170
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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: 1g
  • 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 1173071-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1173071-58-3 / 2,7-dibromo-9-heptylcarbazole

2,7-Dibromo-9-heptyl-9H-carbazole | RefChem:445951 | 833-608-7

Standard CAS: 1173071-58-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1173071-58-3
Multi CAS
No
Molecular Formula
C19H21Br2N
Molecular Weight
423.200000
Exact Mass
423.002030
SMILES
CCCCCCCN1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br
InChI
InChI=1S/C19H21Br2N/c1-2-3-4-5-6-11-22-18-12-14(20)7-9-16(18)17-10-8-15(21)13-19(17)22/h7-10,12-13H,2-6,11H2,1H3
InChIKey
MLLYLIXYBBORGG-UHFFFAOYSA-N
Synonyms
2,7-Dibromo-9-heptyl-9H-carbazole RefChem:445951 833-608-7 2,7-Dibromo-9-heptylcarbazole MFCD30742903

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
103.6
TPSA
4.93

LogP / Solubility

WLOGP
7.29
MLOGP
6.44
XLogP3
7.5
Consensus LogP
7.08
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
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)
-0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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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