![CAS 1401334-36-8 2-chloro-4-(morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1401334-36-8(2).gif)
CAS RN: 1401334-36-8
2-chloro-4-(morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carbaldehyde
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.20260321 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-050625
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1401334-36-8 / 2-chloro-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carbaldehyde
Basic Information
CAS
1401334-36-8
Multi CAS
No
Molecular Formula
C11H11ClN4O2
Molecular Weight
266.680000
Exact Mass
266.057053
SMILES
C1COCCN1C2=NC(=NN3C2=CC(=C3)C=O)Cl
InChI
InChI=1S/C11H11ClN4O2/c12-11-13-10(15-1-3-18-4-2-15)9-5-8(7-17)6-16(9)14-11/h5-7H,1-4H2
InChIKey
XYUWQCGFGUQFSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
66.42
TPSA
59.73
LogP / Solubility
WLOGP
1.03
MLOGP
0.92
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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