CAS RN: 1627924-19-9
1H-Pyrazole-4-carboxaldehyde, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
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.20260227 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1627924-19-9
- Purity/Analytical Methods: >99.0%
1627924-19-9 / 3-iodo-1-(oxan-2-yl)pyrazole-4-carbaldehyde
Basic Information
CAS
1627924-19-9
Multi CAS
No
Molecular Formula
C9H11IN2O2
Molecular Weight
306.100000
Exact Mass
305.986530
SMILES
C1CCOC(C1)N2C=C(C(=N2)I)C=O
InChI
InChI=1S/C9H11IN2O2/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-14-8/h5-6,8H,1-4H2
InChIKey
TVGOFLFNBCDVFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.17
TPSA
44.12
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.1
Consensus LogP
1.62
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-3.17
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
2
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