CAS RN: 888958-25-6
SARS-CoV-IN-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.20260529 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS888958-25-6
- Purity/Analytical Methods: >99.0%
888958-25-6 / SARS-CoV-IN-1
Basic Information
CAS
888958-25-6
Multi CAS
No
Molecular Formula
C23H16CLFEN3O
Molecular Weight
441.700000
Exact Mass
441.033125
InChI
InChI=1S/C18H16ClN3O.C5.Fe/c19-15-4-5-16-17(6-7-21-18(16)10-15)22-12-14-3-1-2-13(14)11-20-8-9-23;1-2-4-5-3-1;/h4-7,10,20,23H,8-9,11-12H2,(H,21,22);;/q2*-1;+2
InChIKey
ZVVGNVILKOFPMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
109.25
TPSA
57.18
LogP / Solubility
WLOGP
3.14
MLOGP
2.79
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
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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