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CAS 84102-75-0 5-Cyano-2-benzo[b]furancarboxylic acid molecular structure lightbox
CAS RN: 84102-75-0

5-Cyano-2-benzo[b]furancarboxylic acid

  • Product code: SSC-191694
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 84102-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

84102-75-0 / 5-cyano-1-benzofuran-2-carboxylic acid

Standard CAS: 84102-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84102-75-0
Multi CAS
No
Molecular Formula
C10H5NO3
Molecular Weight
187.150000
Exact Mass
187.026943
InChI
InChI=1S/C10H5NO3/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4H,(H,12,13)
InChIKey
UJQXZANNFIHPGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.89
TPSA
74.23

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.44

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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