CAS RN: 2634687-80-0
(4S,4’S)-2,2′-(2-(4-(tert-Butyl)phenyl)ethane-1,1-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
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.20260214 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-80-0
- Purity/Analytical Methods: >99.0%
2634687-80-0 / (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-(4-tert-butylphenyl)ethyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-80-0
Multi CAS
No
Molecular Formula
C26H40N2O2
Molecular Weight
412.600000
Exact Mass
412.308979
SMILES
CC(C)(C)[C@H]1COC(=N1)C(CC2=CC=C(C=C2)C(C)(C)C)C3=N[C@H](CO3)C(C)(C)C
InChI
InChI=1S/C26H40N2O2/c1-24(2,3)18-12-10-17(11-13-18)14-19(22-27-20(15-29-22)25(4,5)6)23-28-21(16-30-23)26(7,8)9/h10-13,19-21H,14-16H2,1-9H3/t20-,21-/m1/s1
InChIKey
LCNSTQCOPQVFOE-NHCUHLMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
125.6
TPSA
43.18
LogP / Solubility
WLOGP
5.83
MLOGP
5.16
XLogP3
6.7
Consensus LogP
5.9
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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