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CAS 331949-55-4 1H-Benzimidazole-2-methanol,6-chloro-1-methyl-(9CI) molecular structure lightbox
CAS RN: 331949-55-4

1H-Benzimidazole-2-methanol,6-chloro-1-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-139139
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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 331949-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

331949-55-4 / (6-chloro-1-methylbenzimidazol-2-yl)methanol

Standard CAS: 331949-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331949-55-4
Multi CAS
No
Molecular Formula
C9H9CLN2O
Molecular Weight
196.630000
Exact Mass
196.040341
InChI
InChI=1S/C9H9ClN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3
InChIKey
JICWCEVJVKHWKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.65
TPSA
38.05

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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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