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CAS 17177-17-2 6-METHYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE molecular structure lightbox
CAS RN: 17177-17-2

6-METHYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE

  • Product code: SSC-075602
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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 17177-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

17177-17-2 / 6-methyl-2,3,4,9-tetrahydro-1H-carbazole

Standard CAS: 17177-17-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17177-17-2
Multi CAS
No
Molecular Formula
C13H15N
Molecular Weight
185.260000
Exact Mass
185.120449
SMILES
CC1=CC2=C(C=C1)NC3=C2CCCC3
InChI
InChI=1S/C13H15N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,14H,2-5H2,1H3
InChIKey
BMBRPEXJJPILQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.38
H-bond donors
1
Molar refractivity
59.68
TPSA
15.79

LogP / Solubility

WLOGP
3.36
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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