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CAS 4749-47-7 2-(1H-INDOL-2-YL)PHENOL molecular structure lightbox
CAS RN: 4749-47-7

2-(1H-INDOL-2-YL)PHENOL

  • Product code: SSC-154440
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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: 0.25g
  • 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 4749-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

4749-47-7 / 2-(1H-indol-2-yl)phenol

Standard CAS: 4749-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4749-47-7
Multi CAS
No
Molecular Formula
C14H11NO
Molecular Weight
209.240000
Exact Mass
209.084064
InChI
InChI=1S/C14H11NO/c16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13/h1-9,15-16H
InChIKey
WKZRPPBUMLPCRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
65.4
TPSA
36.02

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

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

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