CAS RN: 1384984-28-4
2-(5-(4-amino-2-fluoro-5-nitro-3-(tetrahydrofuran-2-yl)phenyl)pyrimidin-2-yl)propan-2-ol
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.20251227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1384984-28-4
- Purity/Analytical Methods: >99.0%
1384984-28-4 / 2-[5-[4-amino-2-fluoro-5-nitro-3-(oxolan-2-yl)phenyl]pyrimidin-2-yl]propan-2-ol
Basic Information
CAS
1384984-28-4
Multi CAS
No
Molecular Formula
C17H19FN4O4
Molecular Weight
362.400000
Exact Mass
362.139033
SMILES
CC(C)(C1=NC=C(C=N1)C2=CC(=C(C(=C2F)C3CCCO3)N)[N+](=O)[O-])O
InChI
InChI=1S/C17H19FN4O4/c1-17(2,23)16-20-7-9(8-21-16)10-6-11(22(24)25)15(19)13(14(10)18)12-4-3-5-26-12/h6-8,12,23H,3-5,19H2,1-2H3
InChIKey
ITDGFNLFDFXLOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
91.66
TPSA
124.4
LogP / Solubility
WLOGP
2.85
MLOGP
2.53
XLogP3
1.5
Consensus LogP
2.29
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1385694-44-9 1-Boc-6-cbz-octahydropyrrolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42611082(1).gif)
