![CAS 2634687-78-6 Oxazole, 2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-78-6.gif)
CAS RN: 2634687-78-6
Oxazole, 2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4’S)-
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.20250208 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-78-6
- Purity/Analytical Methods: >99.0%
2634687-78-6 / (4S)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-78-6
Multi CAS
No
Molecular Formula
C29H38N2O2
Molecular Weight
446.600000
Exact Mass
446.293328
SMILES
CC(C)(C)[C@H]1COC(=N1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=N[C@@H](CO4)C(C)(C)C
InChI
InChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3/t23-,24+
InChIKey
GKBCJHLRVUHQRT-PSWAGMNNSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
135.98
TPSA
43.18
LogP / Solubility
WLOGP
6.15
MLOGP
5.44
XLogP3
6.8
Consensus LogP
6.13
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
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)
-1.08
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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