![CAS 2007917-19-1 4-{2,6-diethenylpyrrolo[2,1-f][1,2,4]triazin-4-yl}morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43121843.gif)
CAS RN: 2007917-19-1
4-{2,6-diethenylpyrrolo[2,1-f][1,2,4]triazin-4-yl}morpholine
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.20250928 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-094695
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 | Shanghai | Inquiry |
2007917-19-1 / 4-[2,6-bis(ethenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine
Basic Information
CAS
2007917-19-1
Multi CAS
No
Molecular Formula
C14H16N4O
Molecular Weight
256.300000
Exact Mass
256.132411
SMILES
C=CC1=CN2C(=C1)C(=NC(=N2)C=C)N3CCOCC3
InChI
InChI=1S/C14H16N4O/c1-3-11-9-12-14(17-5-7-19-8-6-17)15-13(4-2)16-18(12)10-11/h3-4,9-10H,1-2,5-8H2
InChIKey
KXHCMTFUPXHDHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.2
TPSA
42.66
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
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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