![CAS 2185014-88-2 “(4S,4’S)-2,2′-Cyclohexylidenebis[4,5-dihydro-4-phenyloxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2185014-88-2.png)
CAS RN: 2185014-88-2
“(4S,4’S)-2,2′-Cyclohexylidenebis[4,5-dihydro-4-phenyloxazole],99%e.e.”
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260525 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2185014-88-2
- Purity/Analytical Methods: >99.0%
2185014-88-2 / (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2185014-88-2
Multi CAS
No
Molecular Formula
C24H26N2O2
Molecular Weight
374.500000
Exact Mass
374.199428
SMILES
C1CCC(CC1)(C2=N[C@H](CO2)C3=CC=CC=C3)C4=N[C@H](CO4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-16-27-22(25-20)24(14-8-3-9-15-24)23-26-21(17-28-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-,21-/m1/s1
InChIKey
UCQNNOPAGMJZGM-NHCUHLMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
110.66
TPSA
43.18
LogP / Solubility
WLOGP
5.28
MLOGP
4.66
XLogP3
4.9
Consensus LogP
4.95
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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