CAS RN: 1656253-81-4

(4R,4’R,5S,5’S)-2,2′-(1,3-Dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4,5-diphenyloxazole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 100mg Out of stock 5-7 business days Inquiry
Batchno.20250626 100mg In stock Shanghai Inquiry
Batchno.20260509 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20251103 250mg In stock Shanghai Inquiry
Batchno.20250129 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-072330
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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 1656253-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1656253-81-4 / (4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydroinden-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 1656253-81-4 Multi CAS: No

Basic Information

CAS
1656253-81-4
Multi CAS
No
Molecular Formula
C39H32N2O2
Molecular Weight
560.700000
Exact Mass
560.246378
SMILES
C1C2=CC=CC=C2CC1(C3=N[C@@H]([C@@H](O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=N[C@@H]([C@@H](O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C39H32N2O2/c1-5-15-27(16-6-1)33-35(29-19-9-3-10-20-29)42-37(40-33)39(25-31-23-13-14-24-32(31)26-39)38-41-34(28-17-7-2-8-18-28)36(43-38)30-21-11-4-12-22-30/h1-24,33-36H,25-26H2/t33-,34-,35+,36+/m1/s1
InChIKey
UYCBNAKEMVGOCN-NWJWHWDBSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
170.05
TPSA
43.18

LogP / Solubility

WLOGP
8.59
MLOGP
7.61
XLogP3
7.8
Consensus LogP
8
Log S (ESOL)
-8.85
Class (ESOL)
Insoluble
Log S (Ali)
-10.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.16
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)
-0.04

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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