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CAS 21269-78-3 (1-ethyl-1H-benzoimidazol-2-yl)methanol molecular structure lightbox
CAS RN: 21269-78-3

(1-ethyl-1H-benzoimidazol-2-yl)methanol

  • Product code: SSC-101622
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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: ＞97%
  • 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 21269-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

21269-78-3 / (1-ethylbenzimidazol-2-yl)methanol

Standard CAS: 21269-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21269-78-3
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CCN1C2=CC=CC=C2N=C1CO
InChI
InChI=1S/C10H12N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-6,13H,2,7H2,1H3
InChIKey
YPMCFIDLEKUBHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.33
TPSA
38.05

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
0.9
Consensus LogP
1.27
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.7

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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