CAS RN: 56962-11-9
2-Chloro-4-hydroxybenzaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-165012
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, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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56962-11-9 / 2-chloro-4-hydroxybenzaldehyde
Basic Information
CAS
56962-11-9
Multi CAS
No
Molecular Formula
C7H5CLO2
Molecular Weight
156.560000
Exact Mass
155.997807
InChI
InChI=1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey
ZMOMCILMBYEGLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.5
TPSA
37.3
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-2.36
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
