![CAS 957122-11-1 (R)-tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957122-11-1.gif)
CAS RN: 957122-11-1
(R)-tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-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.20250511 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS957122-11-1
- Purity/Analytical Methods: >99.0%
957122-11-1 / tert-butyl (8R)-8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
Basic Information
CAS
957122-11-1
Multi CAS
Yes
Molecular Formula
C23F2H30N2O5
Molecular Weight
452.500000
Exact Mass
452.212278
InChI
InChI=1S/C23H30F2N2O5/c1-5-31-19(28)14-26-18(15-10-16(24)12-17(25)11-15)13-27(21(30)32-22(2,3)4)23(20(26)29)8-6-7-9-23/h10-12,18H,5-9,13-14H2,1-4H3/t18-/m0/s1
InChIKey
ZOFJVJZCVFSUNT-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
111.58
TPSA
76.15
LogP / Solubility
WLOGP
3.96
MLOGP
3.52
XLogP3
3.5
Consensus LogP
3.66
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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