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CAS 66955-51-9 3,4-DIHYDRO-2H-BENZO[E][1,3]OXAZINE molecular structure lightbox
CAS RN: 66955-51-9

3,4-DIHYDRO-2H-BENZO[E][1,3]OXAZINE

  • Product code: SSC-176607
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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 66955-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

66955-51-9 / 3,4-dihydro-2H-1,3-benzoxazine

Standard CAS: 66955-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66955-51-9
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
InChI
InChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,9H,5-6H2
InChIKey
WTAVYBAEMMFITK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.78
TPSA
21.26

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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