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CAS 94937-86-7 2-CHLOROMETHYL-1-PHENYL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 94937-86-7

2-CHLOROMETHYL-1-PHENYL-1H-BENZOIMIDAZOLE

  • Product code: SSC-210129
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 94937-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

94937-86-7 / 2-(chloromethyl)-1-phenylbenzimidazole

Standard CAS: 94937-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94937-86-7
Multi CAS
No
Molecular Formula
C14H11CLN2
Molecular Weight
242.700000
Exact Mass
242.061076
InChI
InChI=1S/C14H11ClN2/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
TYOBCMJTBPLYGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
70.63
TPSA
17.82

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.5
Consensus LogP
3.53
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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