CAS RN: 63440-60-8
2-oxo-2-o-tolylacetaldehyde hydrate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63440-60-8
- Purity/Analytical Methods: >99.0%
63440-60-8 / 2-(2-methylphenyl)-2-oxoacetaldehyde
Basic Information
CAS
63440-60-8
Multi CAS
Yes
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
InChI
InChI=1S/C9H8O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6H,1H3
InChIKey
ILRFLXHICGHRIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.57
TPSA
34.14
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
2.3
Consensus LogP
1.63
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.65
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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![CAS 63440-94-8 3,8,15,20,27,32-Hexaoxatetracyclo[32.2.2.210,13.222,25]dotetraconta-1(3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63440-94-8.gif)
