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CAS 62469-61-8 Dibenz[b,f][1,4]oxazepine, 11-chloro- molecular structure lightbox
CAS RN: 62469-61-8

Dibenz[b,f][1,4]oxazepine, 11-chloro-

  • Product code: SSC-171624
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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: 0.1g, 0.25g, 1g, 5g
  • 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 62469-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

62469-61-8 / 6-chlorobenzo[b][1,4]benzoxazepine

Standard CAS: 62469-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62469-61-8
Multi CAS
No
Molecular Formula
C13H8CLNO
Molecular Weight
229.660000
Exact Mass
229.029442
InChI
InChI=1S/C13H8ClNO/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
InChIKey
USQRYWGUCOATEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
65.01
TPSA
21.59

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
3.7
Consensus LogP
3.81
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

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

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