CAS RN: 888958-26-7
SARS-CoV-IN-2
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.20260106 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS888958-26-7
- Purity/Analytical Methods: >99.0%
888958-26-7 / SARS-CoV-IN-2
Basic Information
CAS
888958-26-7
Multi CAS
No
Molecular Formula
C24H18CLFEN3O
Molecular Weight
455.700000
Exact Mass
455.048775
InChI
InChI=1S/C19H18ClN3O.C5.Fe/c1-23(9-10-24)13-15-4-2-3-14(15)12-22-18-7-8-21-19-11-16(20)5-6-17(18)19;1-2-4-5-3-1;/h5-8,11,24H,9-10,12-13H2,1H3,(H,21,22);;/q2*-1;+2
InChIKey
SKWRJLZPRARWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.88
TPSA
48.39
LogP / Solubility
WLOGP
3.48
MLOGP
3.09
XLogP3
3.48
Consensus LogP
3.35
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
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)
-3.03
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
Customers Also Viewed
-
SARS-CoV-IN-3
- CAS RN: 888958-27-8
- Product Code: starshine_CAS888958-27-8
- Purity/Analytical method: >99.0%
-
-
(S)-2-PROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 888972-67-6
- Product Code: SSC-200619
-
(2S,2’S)-2,2′-Bipiperidine
- CAS RN: 889096-67-7
- Product Code: starshine_CAS889096-67-7
- Purity/Analytical method: >99.0%
-
(2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-Methoxy-4a-Methyl-6H-dibenzo[b,d]pyran-6-one
- CAS RN: 889101-41-1
- Product Code: starshine_CAS889101-41-1
- Purity/Analytical method: >99.0%
-
![CAS 888967-63-3 4-[3-(Hydroxymethyl)phenoxy]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888967-63-3.gif)
![CAS 889101-41-1 (2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-Methoxy-4a-Methyl-6H-dibenzo[b,d]pyran-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889101-41-1.gif)
