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CAS 897942-79-9 Oxazole, 2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4,5-dihydro-4,5-diphenyl-, (4R,4’R,5S,5’S)- (9CI) molecular structure lightbox
CAS RN: 897942-79-9

Oxazole, 2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4,5-dihydro-4,5-diphenyl-, (4R,4’R,5S,5’S)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-201853
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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 897942-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

897942-79-9 / (4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 897942-79-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
897942-79-9
Multi CAS
Yes
Molecular Formula
C45H38N2O2
Molecular Weight
638.800000
Exact Mass
638.293328
InChI
InChI=1S/C45H38N2O2/c1-7-19-33(20-8-1)31-45(32-34-21-9-2-10-22-34,43-46-39(35-23-11-3-12-24-35)41(48-43)37-27-15-5-16-28-37)44-47-40(36-25-13-4-14-26-36)42(49-44)38-29-17-6-18-30-38/h1-30,39-42H,31-32H2/t39-,40-,41+,42+/m1/s1
InChIKey
HGWSITXKMCQZBN-GLGKVNTQSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
36
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
196.5
TPSA
43.18

LogP / Solubility

WLOGP
10.28
MLOGP
9.1
XLogP3
9.7
Consensus LogP
9.69
Log S (ESOL)
-10.16
Class (ESOL)
Insoluble
Log S (Ali)
-12.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.55
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)
0.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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