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CAS 847237-12-1 2-(3-METHYLPHENYL)-1H-INDOLE molecular structure lightbox
CAS RN: 847237-12-1

2-(3-METHYLPHENYL)-1H-INDOLE

  • Product code: SSC-192285
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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 847237-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

847237-12-1 / 2-(3-methylphenyl)-1H-indole

Standard CAS: 847237-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
847237-12-1
Multi CAS
No
Molecular Formula
C15H13N
Molecular Weight
207.270000
Exact Mass
207.104799
InChI
InChI=1S/C15H13N/c1-11-5-4-7-12(9-11)15-10-13-6-2-3-8-14(13)16-15/h2-10,16H,1H3
InChIKey
FDMNCWSEDSYGND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond donors
1
Molar refractivity
68.47
TPSA
15.79

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
4.2
Consensus LogP
4
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04

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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