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CAS 203-65-6 4,5-epiminophenanthrene molecular structure lightbox
CAS RN: 203-65-6

4,5-epiminophenanthrene

  • Product code: SSC-095596
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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 203-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

203-65-6 / 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

Standard CAS: 203-65-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
203-65-6
Multi CAS
No
Molecular Formula
C14H9N
Molecular Weight
191.230000
Exact Mass
191.073499
SMILES
C1=CC2=C3C(=C1)NC4=CC=CC(=C43)C=C2
InChI
InChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8,15H
InChIKey
VQOUCGZKKPJLGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
H-bond donors
1
Molar refractivity
64.5
TPSA
15.79

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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