![CAS 851768-63-3 2,3-Dihydro-2-spiro-4′-[8′-aminonaphthalen-1′(4’H)-one]perimidine (contains o-form) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3618-jpgcontextbwfzdgvyfhjvb3r8ndiyodn8aw1hz2uvanblz3xonzqvadi0lzg5mzaymtmxmde1otgvrdm2mtguanbnfdazztc3mjizmtu4mmniyji2odcyoda3mjm2mmvmmmq1ogzmzgiwymu4mtjizja2mtu3mzziotk1mgy1mda3zji.jpeg)
CAS RN: 851768-63-3
2,3-Dihydro-2-spiro-4′-[8′-aminonaphthalen-1′(4’H)-one]perimidine (contains o-form)
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: ICTD3618
- Purity/Analytical Methods: >98.0%(N)
851768-63-3 / 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one
Basic Information
CAS
851768-63-3
Multi CAS
No
Molecular Formula
C20H15N3O
Molecular Weight
313.400000
Exact Mass
313.121512
InChI
InChI=1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2
InChIKey
GEUHINMXSZXTFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.05
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.2
TPSA
67.15
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
4.3
Consensus LogP
3.86
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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2,3-Dihydro-2-spiro-7′-[8′-imino-7′,8′-dihydronaphthalen-1′-amine]perimidine
- CAS RN: 851768-62-2
- Product Code: ICTD3619
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