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CAS 853271-16-6 2-(2-broMo-5-fluorophenyl)propan-2-ol molecular structure lightbox
CAS RN: 853271-16-6

2-(2-broMo-5-fluorophenyl)propan-2-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS853271-16-6
  • Purity/Analytical Methods: >99.0%
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853271-16-6 / 2-(2-bromo-5-fluorophenyl)propan-2-ol

Standard CAS: 853271-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853271-16-6
Multi CAS
No
Molecular Formula
BC9H10ORf
Molecular Weight
233.080000
Exact Mass
231.989910
InChI
InChI=1S/C9H10BrFO/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5,12H,1-2H3
InChIKey
DXOUJUXXPOBYPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.34
TPSA
20.23

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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