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CAS 77972-87-3 CYCLOPROPYL NAPHTHYL KETONE molecular structure lightbox
CAS RN: 77972-87-3

CYCLOPROPYL NAPHTHYL KETONE

  • Product code: SSC-187518
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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 77972-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

77972-87-3 / cyclopropyl(naphthalen-1-yl)methanone

Standard CAS: 77972-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77972-87-3
Multi CAS
No
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
InChI
InChI=1S/C14H12O/c15-14(11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2
InChIKey
DQZUXQUFBGGEHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61
TPSA
17.07

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

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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