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CAS 2247206-06-8 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-phenyl-, (4R,4’R)- molecular structure lightbox
CAS RN: 2247206-06-8

Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-phenyl-, (4R,4’R)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-109848
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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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2247206-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2247206-06-8 / 2-[1,3-bis(4-tert-butylphenyl)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 2247206-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2247206-06-8
Multi CAS
No
Molecular Formula
C41H46N2O2
Molecular Weight
598.800000
Exact Mass
598.355929
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C(C)(C)C)(C3=NC(CO3)C4=CC=CC=C4)C5=NC(CO5)C6=CC=CC=C6
InChI
InChI=1S/C41H46N2O2/c1-39(2,3)33-21-17-29(18-22-33)25-41(26-30-19-23-34(24-20-30)40(4,5)6,37-42-35(27-44-37)31-13-9-7-10-14-31)38-43-36(28-45-38)32-15-11-8-12-16-32/h7-24,35-36H,25-28H2,1-6H3/t35-,36-/m0/s1
InChIKey
CONTYZSPSXHNNJ-ZPGRZCPFSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
185.26
TPSA
43.18

LogP / Solubility

WLOGP
9.39
MLOGP
8.31
XLogP3
10
Consensus LogP
9.23
Log S (ESOL)
-9.34
Class (ESOL)
Insoluble
Log S (Ali)
-11.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.31
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)
0.3

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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