![CAS 27284-69-1 1,4-DiMethyl-1H-pyrrolo[2,3-B]pyridine-3-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27284-69-1.gif)
CAS RN: 27284-69-1
1,4-DiMethyl-1H-pyrrolo[2,3-B]pyridine-3-carboxaldehyde
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.20250702 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27284-69-1
- Purity/Analytical Methods: >99.0%
27284-69-1 / 1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
Basic Information
CAS
27284-69-1
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c1-7-3-4-11-10-9(7)8(6-13)5-12(10)2/h3-6H,1-2H3
InChIKey
HYMKXBFBLVDUAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.84
TPSA
34.89
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
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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