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CAS 683240-81-5 2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-6-methyl-(9CI) molecular structure lightbox
CAS RN: 683240-81-5

2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-6-methyl-(9CI)

  • Product code: SSC-178076
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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 683240-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

683240-81-5 / 5-chloro-6-methyl-1,3-dihydrobenzimidazol-2-one

Standard CAS: 683240-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
683240-81-5
Multi CAS
Yes
Molecular Formula
C8H7CLN2O
Molecular Weight
182.610000
Exact Mass
182.024691
InChI
InChI=1S/C8H7ClN2O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
InChIKey
ZURRVGUCXLHILL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
2
Molar refractivity
48.67
TPSA
48.65

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.54

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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