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CAS 59049-84-2 2,2-m-pheylene-bis-benzoxazol molecular structure lightbox
CAS RN: 59049-84-2

2,2-m-pheylene-bis-benzoxazol

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260126 1g Out of stock Inquiry
Batchno.20250121 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-167448
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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: ≥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 59049-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

59049-84-2 / 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole

Standard CAS: 59049-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59049-84-2
Multi CAS
No
Molecular Formula
C20H12N2O2
Molecular Weight
312.300000
Exact Mass
312.089878
InChI
InChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
InChIKey
RYDGJSHONGAQOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
92.45
TPSA
52.06

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
4.9
Consensus LogP
4.96
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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