CAS RN: 924817-85-6
6-(2,3-DiMethylphenyl)-3-pyridinecarbaldehyde
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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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 924817-85-6
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
>95% |
1
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>95% |
1
In Stock
|
Beijing |
Inquiry |
| 1g |
>95% |
1
In Stock
|
Hong Kong |
Inquiry |
| 5g |
>95% |
0
Out of Stock
|
Beijing |
Inquiry |
924817-85-6 / 6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde
Standard CAS: 924817-85-6
Multi CAS: Yes
Basic Information
CAS
924817-85-6
Multi CAS
Yes
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
InChI
InChI=1S/C14H13NO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16)8-15-14/h3-9H,1-2H3
InChIKey
DUVJYKDWGONFFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.53
TPSA
29.96
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5