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CAS 25808-72-4 2H-Benzimidazol-2-one,1,3-dihydro-4,7-dimethoxy-(9CI) molecular structure lightbox
CAS RN: 25808-72-4

2H-Benzimidazol-2-one,1,3-dihydro-4,7-dimethoxy-(9CI)

  • Product code: SSC-122393
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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 25808-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

25808-72-4 / 4,7-dimethoxy-1,3-dihydrobenzimidazol-2-one

Standard CAS: 25808-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25808-72-4
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
SMILES
COC1=C2C(=C(C=C1)OC)NC(=O)N2
InChI
InChI=1S/C9H10N2O3/c1-13-5-3-4-6(14-2)8-7(5)10-9(12)11-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
PSGCKFCZCSTFGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.02
TPSA
67.11

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.5
Consensus LogP
0.71
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.28

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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