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CAS 162213-03-8 2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine molecular structure lightbox
CAS RN: 162213-03-8

2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 100mg In stock Shanghai Inquiry
Batchno.20260107 1g In stock Wuhan Inquiry
Batchno.20250126 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250303 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-069768
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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: 0.25g
  • Available purity: ≥95%
  • 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 162213-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

162213-03-8 / (4S)-2-[6-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole

Standard CAS: 162213-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162213-03-8
Multi CAS
No
Molecular Formula
C41H39N3O2
Molecular Weight
605.800000
Exact Mass
605.304228
SMILES
CC(C)[C@H]1C(OC(=N1)C2=NC(=CC=C2)C3=N[C@H](C(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H39N3O2/c1-28(2)36-40(30-18-9-5-10-19-30,31-20-11-6-12-21-31)45-38(43-36)34-26-17-27-35(42-34)39-44-37(29(3)4)41(46-39,32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-29,36-37H,1-4H3/t36-,37-/m0/s1
InChIKey
VUJKULRKYWRJLV-BCRBLDSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
184.06
TPSA
56.07

LogP / Solubility

WLOGP
8.57
MLOGP
7.59
XLogP3
9.3
Consensus LogP
8.49
Log S (ESOL)
-8.95
Class (ESOL)
Insoluble
Log S (Ali)
-10.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.67
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)
-0.33

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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