CAS RN: 134069-68-4
TDN 345
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.20251125 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS134069-68-4
- Purity/Analytical Methods: >99.0%
134069-68-4 / 8-[4,4-bis(4-fluorophenyl)butyl]-3-tert-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Basic Information
CAS
134069-68-4
Multi CAS
No
Molecular Formula
C28H34F2N2O2
Molecular Weight
468.600000
Exact Mass
468.258835
SMILES
CC(C)(C)N1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C28H34F2N2O2/c1-20-28(34-26(33)32(20)27(2,3)4)15-18-31(19-16-28)17-5-6-25(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h7-14,25H,1,5-6,15-19H2,2-4H3
InChIKey
OFRYIDMZALXALS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
129.5
TPSA
32.78
LogP / Solubility
WLOGP
6.48
MLOGP
5.73
XLogP3
5.9
Consensus LogP
6.04
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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