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CAS 5993-91-9 2-(AMINOMETHYL)BENZIMIDAZOLE DIHYDRO- molecular structure lightbox
CAS RN: 5993-91-9

2-(AMINOMETHYL)BENZIMIDAZOLE DIHYDRO-

  • Product code: SSC-168501
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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: 5g, 10g, 25g, 100g, 1g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 5993-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Beijing Inquiry
1g >98% 3 In Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

5993-91-9 / 1H-benzimidazol-2-ylmethanamine;hydrate;dihydrochloride

Standard CAS: 5993-91-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5993-91-9
Multi CAS
Yes
Molecular Formula
C8H13CL2N3O
Molecular Weight
238.110000
Exact Mass
237.043567
InChI
InChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChIKey
HAEYZZSSSUIZAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.09
TPSA
86.2

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

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

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