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CAS 1360953-02-1 4-Chloro-5-methoxybenzimidazole molecular structure lightbox
CAS RN: 1360953-02-1

4-Chloro-5-methoxybenzimidazole

  • Product code: SSC-044900
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1360953-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry

1360953-02-1 / 4-chloro-5-methoxy-1H-benzimidazole

Standard CAS: 1360953-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360953-02-1
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
COC1=C(C2=C(C=C1)NC=N2)Cl
InChI
InChI=1S/C8H7ClN2O/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChIKey
VXELIBRJQFMUNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.66
TPSA
37.91

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25

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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