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CAS 1021-91-6 5H-dibenzo[a,d]cyclohepten-5-one oxime molecular structure lightbox
CAS RN: 1021-91-6

5H-dibenzo[a,d]cyclohepten-5-one oxime

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-003355
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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 1021-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1021-91-6 / N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)hydroxylamine

5H-Dibenzo[a,d]cyclohepten-5-one oxime | 5H-Dibenzo[a,d]cyclohepten-5-one, oxime | 5H-Dibenzo(a,d)cyclohepten-5-one oxime

Standard CAS: 1021-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1021-91-6
Multi CAS
No
Molecular Formula
C15H11NO
Molecular Weight
221.250000
Exact Mass
221.084064
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NO
InChI
InChI=1S/C15H11NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,17H
InChIKey
LRBLEEPNJOPXOB-UHFFFAOYSA-N
Synonyms
5H-Dibenzo[a,d]cyclohepten-5-one oxime 5H-Dibenzo[a,d]cyclohepten-5-one, oxime 5H-Dibenzo(a,d)cyclohepten-5-one oxime EINECS 213-820-0 5KB4I4FK3S

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.8
TPSA
32.59

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
4.1
Consensus LogP
3.42
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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