![CAS 623165-93-5 (3’R,6S,9R)-5,6,7,8,9,10-Hexahydro-5′-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3′-[1,2,5]thiadiazolidine] 1′,1′-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/623165-93-5.gif)
CAS RN: 623165-93-5
(3’R,6S,9R)-5,6,7,8,9,10-Hexahydro-5′-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3′-[1,2,5]thiadiazolidine] 1′,1′-dioxide
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.20260601 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS623165-93-5
- Purity/Analytical Methods: >99.0%
623165-93-5 / (1'R,4R,10'S)-2-(2,2,2-trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
Basic Information
CAS
623165-93-5
Multi CAS
Yes
Molecular Formula
C25F6H31N3O2S
Molecular Weight
551.600000
Exact Mass
551.204117
InChI
InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1
InChIKey
NKHUILHBYOOZDF-NCOIWELASA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
126.73
TPSA
52.65
LogP / Solubility
WLOGP
4.55
MLOGP
4.05
XLogP3
5.3
Consensus LogP
4.63
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
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