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CAS 1357103-65-1 4,6-Dibromo-2-fluoro-3-methylphenol molecular structure lightbox
CAS RN: 1357103-65-1

4,6-Dibromo-2-fluoro-3-methylphenol

  • Product code: SSC-044268
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1357103-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1357103-65-1 / 4,6-dibromo-2-fluoro-3-methylphenol

Standard CAS: 1357103-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357103-65-1
Multi CAS
No
Molecular Formula
C7H5Br2FO
Molecular Weight
283.920000
Exact Mass
283.867070
SMILES
CC1=C(C(=C(C=C1Br)Br)O)F
InChI
InChI=1S/C7H5Br2FO/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKey
KGTWYRXZVLUKSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.2
TPSA
20.23

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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