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CAS 72322-75-9 1-(9,9-DiMethyl-9H-fluoren-2-yl)ethanone molecular structure lightbox
CAS RN: 72322-75-9

1-(9,9-DiMethyl-9H-fluoren-2-yl)ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS72322-75-9
  • Purity/Analytical Methods: >99.0%
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72322-75-9 / 1-(9,9-dimethylfluoren-2-yl)ethanone

Standard CAS: 72322-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72322-75-9
Multi CAS
No
Molecular Formula
C17H16O
Molecular Weight
236.310000
Exact Mass
236.120115
InChI
InChI=1S/C17H16O/c1-11(18)12-8-9-14-13-6-4-5-7-15(13)17(2,3)16(14)10-12/h4-10H,1-3H3
InChIKey
OIJLIPUKPVAPCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.01
TPSA
17.07

LogP / Solubility

WLOGP
4.2
MLOGP
3.7
XLogP3
4.1
Consensus LogP
4
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

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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