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CAS 5806-10-0 9-Butyl-9H-fluoren-9-ol molecular structure lightbox
CAS RN: 5806-10-0

9-Butyl-9H-fluoren-9-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5806-10-0
  • Purity/Analytical Methods: >99.0%
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5806-10-0 / 9-butylfluoren-9-ol

Standard CAS: 5806-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5806-10-0
Multi CAS
Yes
Molecular Formula
C17H18O
Molecular Weight
238.320000
Exact Mass
238.135765
InChI
InChI=1S/C17H18O/c1-2-3-12-17(18)15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,18H,2-3,12H2,1H3
InChIKey
MMPYXMNCSDWAGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.4
TPSA
20.23

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
4.1
Consensus LogP
3.93
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
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)
-1.27

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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