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CAS 713131-50-1 9H-Fluoren-9-ol, 2-bromo-9-methyl- molecular structure lightbox
CAS RN: 713131-50-1

9H-Fluoren-9-ol, 2-bromo-9-methyl-

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4 package records0 with current stock1 grade group
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Batchno.20260311 100mg Out of stock Inquiry
Batchno.20250219 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS713131-50-1
  • Purity/Analytical Methods: >99.0%
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713131-50-1 / 2-bromo-9-methylfluoren-9-ol

Standard CAS: 713131-50-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
713131-50-1
Multi CAS
No
Molecular Formula
C14H11BRO
Molecular Weight
275.140000
Exact Mass
273.999330
InChI
InChI=1S/C14H11BrO/c1-14(16)12-5-3-2-4-10(12)11-7-6-9(15)8-13(11)14/h2-8,16H,1H3
InChIKey
DRHZPKMRBSAXAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.25
TPSA
20.23

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.3
Consensus LogP
3.41
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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