![CAS 2634687-81-1 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-81-1.gif)
CAS RN: 2634687-81-1
Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4’R)-
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.20260326 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-123780
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2634687-81-1 / (4R)-4-benzyl-2-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-81-1
Multi CAS
No
Molecular Formula
C43H50N2O2
Molecular Weight
626.900000
Exact Mass
626.387229
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C(C)(C)C)(C3=N[C@@H](CO3)CC4=CC=CC=C4)C5=N[C@@H](CO5)CC6=CC=CC=C6
InChI
InChI=1S/C43H50N2O2/c1-41(2,3)35-21-17-33(18-22-35)27-43(28-34-19-23-36(24-20-34)42(4,5)6,39-44-37(29-46-39)25-31-13-9-7-10-14-31)40-45-38(30-47-40)26-32-15-11-8-12-16-32/h7-24,37-38H,25-30H2,1-6H3/t37-,38-/m1/s1
InChIKey
AWYMMKAJDBJCQW-XPSQVAKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
194.77
TPSA
43.18
LogP / Solubility
WLOGP
9.13
MLOGP
8.09
XLogP3
10.6
Consensus LogP
9.27
Log S (ESOL)
-9.2
Class (ESOL)
Insoluble
Log S (Ali)
-11.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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