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CAS 727-49-1 HEPTAFLUORO-2-NAPHTHOL molecular structure lightbox
CAS RN: 727-49-1

HEPTAFLUORO-2-NAPHTHOL

  • Product code: SSC-182189
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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 727-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

727-49-1 / 1,3,4,5,6,7,8-heptafluoronaphthalen-2-ol

Standard CAS: 727-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
727-49-1
Multi CAS
Yes
Molecular Formula
C10F7HO
Molecular Weight
270.100000
Exact Mass
269.991562
InChI
InChI=1S/C10HF7O/c11-3-1-2(4(12)8(16)7(3)15)6(14)10(18)9(17)5(1)13/h18H
InChIKey
RWEQEWKAJFTONV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.32
TPSA
20.23

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3.5
Consensus LogP
3.38
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.87

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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