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CAS 1445952-33-9 Kanshone H molecular structure lightbox
CAS RN: 1445952-33-9

Kanshone H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1445952-33-9
  • Purity/Analytical Methods: >99.0%
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1445952-33-9 / (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,6,7,7b-tetrahydrocyclopropa[a]naphthalen-2-one

Standard CAS: 1445952-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1445952-33-9
Multi CAS
No
Molecular Formula
C15H20O
Molecular Weight
216.320000
Exact Mass
216.151415
SMILES
C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@H]([C@@]12C)C3(C)C
InChI
InChI=1S/C15H20O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h5,7-9,12-13H,6H2,1-4H3/t9-,12-,13+,15+/m1/s1
InChIKey
BVLHCTFFMIUHGN-JWFUOXDNSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
64.88
TPSA
17.07

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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