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CAS 3652-91-3 2-METHYLCARBAZOLE molecular structure lightbox
CAS RN: 3652-91-3

2-METHYLCARBAZOLE

  • Product code: SSC-143709
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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, 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 3652-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

3652-91-3 / 2-methyl-9H-carbazole

Standard CAS: 3652-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3652-91-3
Multi CAS
No
Molecular Formula
C13H11N
Molecular Weight
181.230000
Exact Mass
181.089149
InChI
InChI=1S/C13H11N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8,14H,1H3
InChIKey
PWJYOTPKLOICJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
Fraction Csp3
0.08
H-bond donors
1
Molar refractivity
60.54
TPSA
15.79

LogP / Solubility

WLOGP
3.63
MLOGP
3.19
XLogP3
4.1
Consensus LogP
3.64
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.25

Drug-likeness / Medicinal Chemistry

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

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