CAS RN: 32596-43-3
2,6-DIFORMYL-4-CHLOROPHENOL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS32596-43-3
- Purity/Analytical Methods: >99.0%
32596-43-3 / 5-chloro-2-hydroxybenzene-1,3-dicarbaldehyde
Basic Information
CAS
32596-43-3
Multi CAS
Yes
Molecular Formula
C8H5CLO3
Molecular Weight
184.570000
Exact Mass
183.992722
InChI
InChI=1S/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
InChIKey
MYHXSDYZVOKOAT-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
1
Molar refractivity
43.89
TPSA
54.37
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.61
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.66
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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