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CAS 2788-23-0 N-NITROSOCARBAZOLE molecular structure lightbox
CAS RN: 2788-23-0

N-NITROSOCARBAZOLE

  • Product code: SSC-128306
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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: ＞95%
  • 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 2788-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

2788-23-0 / 9-nitrosocarbazole

Standard CAS: 2788-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2788-23-0
Multi CAS
No
Molecular Formula
C12H8N2O
Molecular Weight
196.200000
Exact Mass
196.063663
InChI
InChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey
XPKSVCWBMBPUPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.64
TPSA
34.36

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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