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CAS 457628-37-4 5,8-difluoro-2H-1-Benzopyran molecular structure lightbox
CAS RN: 457628-37-4

5,8-difluoro-2H-1-Benzopyran

  • Product code: SSC-153395
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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 457628-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

457628-37-4 / 5,8-difluoro-2H-chromene

Standard CAS: 457628-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
457628-37-4
Multi CAS
No
Molecular Formula
C9F2H6O
Molecular Weight
168.140000
Exact Mass
168.038671
InChI
InChI=1S/C9H6F2O/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-4H,5H2
InChIKey
QEVFHSARMKZJDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
40.89
TPSA
9.23

LogP / Solubility

WLOGP
2.37
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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