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CAS 584-87-2 3-FORMYL-4-HYDROXYBENZOIC ACID molecular structure lightbox
CAS RN: 584-87-2

3-FORMYL-4-HYDROXYBENZOIC ACID

  • Product code: SSC-166637
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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, 1g, 10g, 25g, 100g
  • Available purity: >95%
  • 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 584-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shanghai Inquiry
25g >95% 2 In Stock Hong Kong Inquiry
100g >95% 2 In Stock Beijing Inquiry

584-87-2 / 3-formyl-4-hydroxybenzoic acid

Standard CAS: 584-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
584-87-2
Multi CAS
Yes
Molecular Formula
C8H6O4
Molecular Weight
166.130000
Exact Mass
166.026609
InChI
InChI=1S/C8H6O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-4,10H,(H,11,12)
InChIKey
NXZBZWZORYEIJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.45
TPSA
74.6

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.5
Consensus LogP
1.06
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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