![CAS 183208-38-0 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/183208-38-0.gif)
CAS RN: 183208-38-0
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methoxy-
- Product code: SSC-084769
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
183208-38-0 / 5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Basic Information
CAS
183208-38-0
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
COC1=CC2=C(NC=C2C=O)N=C1
InChI
InChI=1S/C9H8N2O2/c1-13-7-2-8-6(5-12)3-10-9(8)11-4-7/h2-5H,1H3,(H,10,11)
InChIKey
BLHXORFATJZTEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.03
TPSA
54.98
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.81
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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