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CAS 127607-62-9 2-(1-trityl-1H-iMidazol-4-yl)ethanol molecular structure lightbox
CAS RN: 127607-62-9

2-(1-trityl-1H-iMidazol-4-yl)ethanol

  • Product code: SSC-035123
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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 127607-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

127607-62-9 / 2-(1-tritylimidazol-4-yl)ethanol

Standard CAS: 127607-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127607-62-9
Multi CAS
No
Molecular Formula
C24H22N2O
Molecular Weight
354.400000
Exact Mass
354.173213
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CCO
InChI
InChI=1S/C24H22N2O/c27-17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19,27H,16-17H2
InChIKey
PGCGACBWMXEHHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.62
TPSA
38.05

LogP / Solubility

WLOGP
4.26
MLOGP
3.77
XLogP3
4.4
Consensus LogP
4.14
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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