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CAS 1156928-67-4 5-fluoro-1-methylbenzimidazol-2-amine molecular structure lightbox
CAS RN: 1156928-67-4

5-fluoro-1-methylbenzimidazol-2-amine

  • Product code: SSC-015476
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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: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1156928-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry

1156928-67-4 / 5-fluoro-1-methylbenzimidazol-2-amine

5-fluoro-1-methyl-1H-1,3-benzodiazol-2-amine | RefChem:535678 | 891-593-2

Standard CAS: 1156928-67-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1156928-67-4
Multi CAS
No
Molecular Formula
C8H8FN3
Molecular Weight
165.170000
Exact Mass
165.070225
SMILES
CN1C2=C(C=C(C=C2)F)N=C1N
InChI
InChI=1S/C8H8FN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
XURFLYNSPWZPFW-UHFFFAOYSA-N
Synonyms
5-fluoro-1-methyl-1H-1,3-benzodiazol-2-amine RefChem:535678 891-593-2 2-Amino-5-fluoro-1-methylbenzimidazole MFCD11215483

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.08
TPSA
43.84

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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