![CAS 1788041-65-5 4-methoxy-1-methyl-1h-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788041-65-5.gif)
CAS RN: 1788041-65-5
4-methoxy-1-methyl-1h-pyrrolo[2,3-b]pyridine
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.20250508 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1788041-65-5
- Purity/Analytical Methods: >99.0%
1788041-65-5 / 4-methoxy-1-methylpyrrolo[2,3-b]pyridine
Basic Information
CAS
1788041-65-5
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CN1C=CC2=C(C=CN=C21)OC
InChI
InChI=1S/C9H10N2O/c1-11-6-4-7-8(12-2)3-5-10-9(7)11/h3-6H,1-2H3
InChIKey
JNXUVMAMKPMLAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.27
TPSA
27.05
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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