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CAS 17200-77-0 2,6-(4,4′-AMinophenyl) benzobisoxazole molecular structure lightbox
CAS RN: 17200-77-0

2,6-(4,4′-AMinophenyl) benzobisoxazole

  • Product code: SSC-075672
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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: ≥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 17200-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

17200-77-0 / 4-[2-(4-aminophenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]aniline

Standard CAS: 17200-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17200-77-0
Multi CAS
No
Molecular Formula
C20H14N4O2
Molecular Weight
342.300000
Exact Mass
342.111676
SMILES
C1=CC(=CC=C1C2=NC3=CC4=C(C=C3O2)OC(=N4)C5=CC=C(C=C5)N)N
InChI
InChI=1S/C20H14N4O2/c21-13-5-1-11(2-6-13)19-23-15-9-16-18(10-17(15)25-19)26-20(24-16)12-3-7-14(22)8-4-12/h1-10H,21-22H2
InChIKey
NLSDWNRBMSRTQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
101.27
TPSA
104.1

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
3.6
Consensus LogP
4.01
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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