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CAS 85233-17-6 2,4-Dibromo-6-fluorotoluene molecular structure lightbox
CAS RN: 85233-17-6

2,4-Dibromo-6-fluorotoluene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85233-17-6
  • Purity/Analytical Methods: >99.0%
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85233-17-6 / 1,5-dibromo-3-fluoro-2-methylbenzene

Standard CAS: 85233-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85233-17-6
Multi CAS
No
Molecular Formula
C7H5BR2F
Molecular Weight
267.920000
Exact Mass
267.872150
InChI
InChI=1S/C7H5Br2F/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
InChIKey
QLBCUJCUDDTVMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
46.54
TPSA
0.0000

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.8
Consensus LogP
3.56
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-1.76

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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