CAS RN: 2634687-70-8
Oxazole, 2,2′-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4’R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-70-8
- Purity/Analytical Methods: >99.0%
2634687-70-8 / (4R)-4-benzyl-2-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-70-8
Multi CAS
No
Molecular Formula
C29H30N2O2
Molecular Weight
438.600000
Exact Mass
438.230728
SMILES
CC(CC1=CC=CC=C1)(C2=N[C@@H](CO2)CC3=CC=CC=C3)C4=N[C@@H](CO4)CC5=CC=CC=C5
InChI
InChI=1S/C29H30N2O2/c1-29(19-24-15-9-4-10-16-24,27-30-25(20-32-27)17-22-11-5-2-6-12-22)28-31-26(21-33-28)18-23-13-7-3-8-14-23/h2-16,25-26H,17-21H2,1H3/t25-,26-/m1/s1
InChIKey
BKDFXLZJORKSHN-CLJLJLNGSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
132.89
TPSA
43.18
LogP / Solubility
WLOGP
5.32
MLOGP
4.71
XLogP3
5.8
Consensus LogP
5.28
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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