![CAS 1190312-37-8 Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1190312-37-8.png)
CAS RN: 1190312-37-8
Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260213 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-019330
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1190312-37-8 / methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-, methyl ester | MFCD12962737
Basic Information
CAS
1190312-37-8
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=CC(=NC2=C1C=CN2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-7(10)12-8-5(6)2-3-11-8/h2-4H,1H3,(H,11,12)
InChIKey
FNKIBYKKYBUANQ-UHFFFAOYSA-N
Synonyms
Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-, methyl ester
MFCD12962737
SCHEMBL2158555
Methyl6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
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
52.44
TPSA
54.98
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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