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CAS 27041-17-4 2-BROMOHEPTAFLUORONAPHTHALENE molecular structure lightbox
CAS RN: 27041-17-4

2-BROMOHEPTAFLUORONAPHTHALENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-125701
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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: 1g
  • 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 27041-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

27041-17-4 / 2-bromo-1,3,4,5,6,7,8-heptafluoronaphthalene

Standard CAS: 27041-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27041-17-4
Multi CAS
No
Molecular Formula
C10BrF7
Molecular Weight
333.000000
Exact Mass
331.907160
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)Br)F
InChI
InChI=1S/C10BrF7/c11-3-4(12)1-2(5(13)8(3)16)7(15)10(18)9(17)6(1)14
InChIKey
PMTDLHCXDWASRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
H-bond acceptors
7
Molar refractivity
51.35
TPSA
0.0000

LogP / Solubility

WLOGP
4.58
MLOGP
4.04
XLogP3
4.6
Consensus LogP
4.41
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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