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: 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
89-86-1 / 2,4-dihydroxybenzoic acid
Basic Information
CAS
89-86-1
Multi CAS
Yes
Molecular Formula
C7H6O4
Molecular Weight
154.120000
Exact Mass
154.026609
InChI
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
Physical Properties
Melting Point
218 - 219 °C
Boiling Point
309.00 to 310.00 °C. @ 760.00 mm Hg
Physical Description
Solid; [Merck Index] White powder;
Solid
hydrated white crystals with a faint phenolic odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.73
TPSA
77.76
LogP / Solubility
WLOGP
0.8
MLOGP
0.69
XLogP3
1.6
Consensus LogP
1.03
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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
Leadlikeness
No
Synthetic Accessibility
1.5
