CAS RN: 888958-27-8
SARS-CoV-IN-3
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.20250625 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS888958-27-8
- Purity/Analytical Methods: >99.0%
888958-27-8 / SARS-CoV-IN-3
Basic Information
CAS
888958-27-8
Multi CAS
No
Molecular Formula
C25H20CLFEN3O
Molecular Weight
469.700000
Exact Mass
469.064426
InChI
InChI=1S/C20H20ClN3O.C5.Fe/c1-2-24(10-11-25)14-16-5-3-4-15(16)13-23-19-8-9-22-20-12-17(21)6-7-18(19)20;1-2-4-5-3-1;/h6-9,12,25H,2,10-11,13-14H2,1H3,(H,22,23);;/q2*-1;+2
InChIKey
QFUCUWLTDSJBPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
10
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
118.49
TPSA
48.39
LogP / Solubility
WLOGP
3.87
MLOGP
3.44
XLogP3
3.87
Consensus LogP
3.73
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
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)
-2.84
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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