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CAS 47465-97-4 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on molecular structure lightbox
CAS RN: 47465-97-4

3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on

  • Product code: SSC-154394
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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: 0.1g
  • 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 47465-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

47465-97-4 / 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one

Standard CAS: 47465-97-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
47465-97-4
Multi CAS
Yes
Molecular Formula
C22H19NO3
Molecular Weight
345.400000
Exact Mass
345.136493
InChI
InChI=1S/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKey
ZEKCYPANSOJWDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
100.64
TPSA
69.56

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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