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CAS 655253-57-9 (1-METHYL-4-PHENYL-1H-IMIDAZOL-5-YL)METHANOL molecular structure lightbox
CAS RN: 655253-57-9

(1-METHYL-4-PHENYL-1H-IMIDAZOL-5-YL)METHANOL

  • Product code: SSC-175178
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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 655253-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

655253-57-9 / (3-methyl-5-phenylimidazol-4-yl)methanol

Standard CAS: 655253-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
655253-57-9
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
InChI
InChI=1S/C11H12N2O/c1-13-8-12-11(10(13)7-14)9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKey
QKDNJVLUJMNDDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.57
TPSA
38.05

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
0.8
Consensus LogP
1.26
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.75

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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