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CAS 4701-07-9 Benzimidazole, 5,6-dimethoxy-1-methyl- (7CI,8CI) molecular structure lightbox
CAS RN: 4701-07-9

Benzimidazole, 5,6-dimethoxy-1-methyl- (7CI,8CI)

  • Product code: SSC-154070
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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 4701-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4701-07-9 / 5,6-dimethoxy-1-methylbenzimidazole

Standard CAS: 4701-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4701-07-9
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c1-12-6-11-7-4-9(13-2)10(14-3)5-8(7)12/h4-6H,1-3H3
InChIKey
GNWZQZYEOCXKBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.82
TPSA
36.28

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.76

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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