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CAS 2397-00-4 4,4′-Bis(5-methyl-2-benzoxazolyl)stilbene (purified by sublimation) molecular structure lightbox
CAS RN: 2397-00-4

4,4′-Bis(5-methyl-2-benzoxazolyl)stilbene (purified by sublimation)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251024 100g In stock Inquiry
Batchno.20260401 1g In stock Inquiry
Batchno.20250126 25g In stock Inquiry
Batchno.20260406 5g Out of stock Inquiry
  • Product code: SSC-116949
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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: 100g
  • 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 2397-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

2397-00-4 / 5-methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

Standard CAS: 2397-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2397-00-4
Multi CAS
No
Molecular Formula
C30H22N2O2
Molecular Weight
442.500000
Exact Mass
442.168128
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C
InChI
InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3
InChIKey
OKEZAUMKBWTTCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
30
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
137.29
TPSA
52.06

LogP / Solubility

WLOGP
8.09
MLOGP
7.15
XLogP3
7.9
Consensus LogP
7.71
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-9.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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