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CAS 215868-80-7 (1-ETHYL-1H-IMIDAZOL-4-YL)-METHANOL HCL molecular structure lightbox
CAS RN: 215868-80-7

(1-ETHYL-1H-IMIDAZOL-4-YL)-METHANOL HCL

  • Product code: SSC-103466
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 215868-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 4 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry

215868-80-7 / (1-ethylimidazol-4-yl)methanol

Standard CAS: 215868-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215868-80-7
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
CCN1C=C(N=C1)CO
InChI
InChI=1S/C6H10N2O/c1-2-8-3-6(4-9)7-5-8/h3,5,9H,2,4H2,1H3
InChIKey
CWOZLRPNGIXFRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.82
TPSA
38.05

LogP / Solubility

WLOGP
0.4
MLOGP
0.34
XLogP3
-0.5
Consensus LogP
0.08
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

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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