![CAS 853685-79-7 1H-Pyrrolo[3,2-c]pyridine-2-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/853685-79-7.gif)
CAS RN: 853685-79-7
1H-Pyrrolo[3,2-c]pyridine-2-carboxaMide
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.20250307 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS853685-79-7
- Purity/Analytical Methods: >99.0%
853685-79-7 / 1H-pyrrolo[3,2-c]pyridine-2-carboxamide
Basic Information
CAS
853685-79-7
Multi CAS
Yes
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c9-8(12)7-3-5-4-10-2-1-6(5)11-7/h1-4,11H,(H2,9,12)
InChIKey
SNKVEHPJTUSJBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.61
TPSA
71.77
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.23
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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