CAS RN: 918643-41-1
918643-41-1
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.20250529 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS918643-41-1
- Purity/Analytical Methods: >99.0%
918643-41-1 / 3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyaniline
Basic Information
CAS
918643-41-1
Multi CAS
No
Molecular Formula
C13FH8In2OS
Molecular Weight
386.190000
Exact Mass
385.938610
InChI
InChI=1S/C13H8FIN2OS/c14-8-5-7(16)1-2-10(8)18-11-3-4-17-9-6-12(15)19-13(9)11/h1-6H,16H2
InChIKey
KZLXHYZAFVHWDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.22
TPSA
48.14
LogP / Solubility
WLOGP
4.41
MLOGP
3.91
XLogP3
3.6
Consensus LogP
3.97
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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