![CAS 1379526-98-3 1H-Pyrrolo[2,3-c]pyridin-7-ylmethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92688517(1).gif)
CAS RN: 1379526-98-3
1H-Pyrrolo[2,3-c]pyridin-7-ylmethanol
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.20250327 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1379526-98-3
- Purity/Analytical Methods: >99.0%
1379526-98-3 / 1H-pyrrolo[2,3-c]pyridin-7-ylmethanol
Basic Information
CAS
1379526-98-3
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1=CNC2=C1C=CN=C2CO
InChI
InChI=1S/C8H8N2O/c11-5-7-8-6(1-3-9-7)2-4-10-8/h1-4,10-11H,5H2
InChIKey
FWQCYGBJDIVQIQ-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
0.1
Consensus LogP
0.69
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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