![CAS 1268521-89-6 7-chloro-2-Methyl-5-(trifluoroMethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268521-89-6.gif)
CAS RN: 1268521-89-6
7-chloro-2-Methyl-5-(trifluoroMethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
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.20250127 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-034117
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
1268521-89-6 / 7-chloro-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
Basic Information
CAS
1268521-89-6
Multi CAS
No
Molecular Formula
C10H5ClF3N3
Molecular Weight
259.610000
Exact Mass
259.012409
SMILES
CC1=CC2=C(N1)C(=C(C(=N2)C(F)(F)F)C#N)Cl
InChI
InChI=1S/C10H5ClF3N3/c1-4-2-6-8(16-4)7(11)5(3-15)9(17-6)10(12,13)14/h2,16H,1H3
InChIKey
AXFXCWZHDRADDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.56
TPSA
52.47
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
2.7
Consensus LogP
3.04
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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