![CAS 17288-43-6 (5-METHOXY-1H-PYRROLO[2,3-C]PYRIDIN-2-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8364731(1).gif)
CAS RN: 17288-43-6
(5-METHOXY-1H-PYRROLO[2,3-C]PYRIDIN-2-YL)METHANOL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS17288-43-6
- Purity/Analytical Methods: >99.0%
17288-43-6 / (5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
Basic Information
CAS
17288-43-6
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
COC1=NC=C2C(=C1)C=C(N2)CO
InChI
InChI=1S/C9H10N2O2/c1-13-9-3-6-2-7(5-12)11-8(6)4-10-9/h2-4,11-12H,5H2,1H3
InChIKey
TUWFVEZGIMLNNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.57
TPSA
58.14
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
0.4
Consensus LogP
0.8
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.05
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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