CAS RN: 1190310-24-7
5-Fluoro-7-azaindole-4-carboxlic acid Methyl 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.20251207 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190310-24-7
- Purity/Analytical Methods: >99.0%
1190310-24-7 / methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate | MFCD12962823 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-, methyl ester
Basic Information
CAS
1190310-24-7
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
COC(=O)C1=C2C=CNC2=NC=C1F
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)7-5-2-3-11-8(5)12-4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKey
LLGKEFTUEUHOPV-UHFFFAOYSA-N
Synonyms
methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
MFCD12962823
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-, methyl ester
5-Fluoro-1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid methyl ester
SCHEMBL1953766
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.39
TPSA
54.98
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.85
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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