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CAS 65875-07-2 1-(5,6,7,7a,8,9,10,11-Octahydro-4H-benzo[ef]heptalen-2-yl)ethanone molecular structure lightbox
CAS RN: 65875-07-2

1-(5,6,7,7a,8,9,10,11-Octahydro-4H-benzo[ef]heptalen-2-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS65875-07-2
  • Purity/Analytical Methods: >99.0%
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65875-07-2 / 1-(3-tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-trienyl)ethanone

Standard CAS: 65875-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65875-07-2
Multi CAS
No
Molecular Formula
C17H22O
Molecular Weight
242.360000
Exact Mass
242.167065
InChI
InChI=1S/C17H22O/c1-12(18)16-10-14-8-4-2-6-13-7-3-5-9-15(11-16)17(13)14/h10-11,13H,2-9H2,1H3
InChIKey
QIPXCFRQLDJRKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.3
TPSA
17.07

LogP / Solubility

WLOGP
4.43
MLOGP
3.9
XLogP3
5
Consensus LogP
4.44
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06

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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