![CAS 920979-05-1 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/920979-05-1.gif)
CAS RN: 920979-05-1
5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
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.20251108 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS920979-05-1
- Purity/Analytical Methods: >99.0%
920979-05-1 / 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Basic Information
CAS
920979-05-1
Multi CAS
No
Molecular Formula
C9F3H5N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)7-2-1-4-5(14-7)3-6(13-4)8(15)16/h1-3,13H,(H,15,16)
InChIKey
IOLZZXXQIDHNFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.05
TPSA
65.98
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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