![CAS 1429056-54-1 (1Z,3Z)-1,3-Bis[[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]methylene]-2,3-dihydro-1H-isoindole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429056-54-1.gif)
CAS RN: 1429056-54-1
(1Z,3Z)-1,3-Bis[[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]methylene]-2,3-dihydro-1H-isoindole
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.20251212 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1429056-54-1
- Purity/Analytical Methods: >99.0%
1429056-54-1 / (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1429056-54-1
Multi CAS
No
Molecular Formula
C28H23N3O2
Molecular Weight
433.500000
Exact Mass
433.179027
SMILES
C1OC(=N[C@@H]1C2=CC=CC=C2)/C=C/3\N/C(=C\C4=N[C@@H](CO4)C5=CC=CC=C5)/C6=CC=CC=C36
InChI
InChI=1S/C28H23N3O2/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20/h1-16,25-26,29H,17-18H2
InChIKey
GBRKRIUSANJDJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
131.62
TPSA
58.97
LogP / Solubility
WLOGP
4.07
MLOGP
3.61
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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