![CAS 1234615-74-7 Methyl 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234615-74-7.gif)
CAS RN: 1234615-74-7
Methyl 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
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.20260613 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-027138
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1234615-74-7 / methyl 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Basic Information
CAS
1234615-74-7
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
COC(=O)C1=CN=C2C(=C1F)C=CN2
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12)
InChIKey
NYBFZFSVBNMCRD-UHFFFAOYSA-N
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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