![CAS 849067-97-6 (1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849067-97-6.gif)
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 | Beijing | Inquiry |
849067-97-6 / 1H-pyrrolo[2,3-b]pyridin-5-ylmethanol
Basic Information
CAS
849067-97-6
Multi CAS
Yes
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c11-5-6-3-7-1-2-9-8(7)10-4-6/h1-4,11H,5H2,(H,9,10)
InChIKey
HECHZAPQJASYJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.02
TPSA
48.91
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
0.4
Consensus LogP
0.79
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-2.87
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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![CAS 849068-61-7 5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849068-61-7.gif)
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