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CAS 886493-60-3 5-Hydroxy-2-(hydroxymethyl)benzimidazole molecular structure lightbox
CAS RN: 886493-60-3

5-Hydroxy-2-(hydroxymethyl)benzimidazole

  • Product code: SSC-199968
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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 886493-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

886493-60-3 / 2-(hydroxymethyl)-3H-benzimidazol-5-ol

Standard CAS: 886493-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886493-60-3
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
InChI
InChI=1S/C8H8N2O2/c11-4-8-9-6-2-1-5(12)3-7(6)10-8/h1-3,11-12H,4H2,(H,9,10)
InChIKey
ABYKTANNAJZKCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.68
TPSA
69.14

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.18

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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