![CAS 920978-82-1 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid,1-[(3-fluorophenyl)methyl]-,ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/920978-82-1.gif)
CAS RN: 920978-82-1
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid,1-[(3-fluorophenyl)methyl]-,ethyl ester
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.20260622 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS920978-82-1
- Purity/Analytical Methods: >99.0%
920978-82-1 / ethyl 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate
Basic Information
CAS
920978-82-1
Multi CAS
No
Molecular Formula
C17FH15N2O2
Molecular Weight
298.310000
Exact Mass
298.111756
InChI
InChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-13-6-7-19-10-16(13)20(15)11-12-4-3-5-14(18)8-12/h3-10H,2,11H2,1H3
InChIKey
OTEBZASQXCFNKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
81.19
TPSA
44.12
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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