![CAS 892289-95-1 tert-Butyl2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892289-95-1.gif)
CAS RN: 892289-95-1
tert-Butyl2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
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.20250525 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS892289-95-1
- Purity/Analytical Methods: >99.0%
892289-95-1 / tert-butyl 3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
Basic Information
CAS
892289-95-1
Multi CAS
No
Molecular Formula
C18H23N3O2S
Molecular Weight
345.500000
Exact Mass
345.151098
InChI
InChI=1S/C18H23N3O2S/c1-17(2,3)23-16(22)21-11-9-18(10-12-21)19-14(15(24)20-18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,20,24)
InChIKey
VOIILZQYNUYFSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.48
TPSA
53.93
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.7
Consensus LogP
2.87
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 892292-63-6 2-(N-Methyl-N-phenylaMino)-4H-thieno[3,2-d][1,3]thiazin-4-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(N-Methyl-N-phenylaMino)-4H-thieno[3,2-d][1,3]thiazin-4-one
- CAS RN: 892292-63-6
- Product Code: starshine_CAS892292-63-6
- Purity/Analytical method: >99.0%
-
1’H-Spiro[cycloheptane-1,2′-quinazoline]-4′-thiol
- CAS RN: 892299-03-5
- Product Code: starshine_CAS892299-03-5
- Purity/Analytical method: >99.0%
-
8-Methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
- CAS RN: 892299-50-2
- Product Code: starshine_CAS892299-50-2
- Purity/Analytical method: >99.0%
-
-
1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoroMethyl)-, 7-oxide
- CAS RN: 892414-49-2
- Product Code: starshine_CAS892414-49-2
- Purity/Analytical method: >99.0%
-
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoroMethyl)-
- CAS RN: 892414-50-5
- Product Code: starshine_CAS892414-50-5
- Purity/Analytical method: >99.0%
![CAS 892292-63-6 2-(N-Methyl-N-phenylaMino)-4H-thieno[3,2-d][1,3]thiazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892292-63-6.gif)
![CAS 892299-03-5 1’H-Spiro[cycloheptane-1,2′-quinazoline]-4′-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892299-03-5.gif)
![CAS 892299-50-2 8-Methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892299-50-2.gif)
![CAS 892414-47-0 3-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892414-47-0.gif)
![CAS 892414-49-2 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoroMethyl)-, 7-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892414-49-2.gif)
![CAS 892414-50-5 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892414-50-5.gif)