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CAS 82138-57-6 3-(5-FLUORO-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 82138-57-6

3-(5-FLUORO-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID

  • Product code: SSC-190364
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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, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 82138-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

82138-57-6 / 3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid

Standard CAS: 82138-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82138-57-6
Multi CAS
Yes
Molecular Formula
C10FH9N2O2
Molecular Weight
208.190000
Exact Mass
208.064806
InChI
InChI=1S/C10H9FN2O2/c11-6-1-2-7-8(5-6)13-9(12-7)3-4-10(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKey
BKAQRRKGTFCGHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.01
TPSA
65.98

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.77

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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