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CAS 301308-13-4 Benzene, 1,2-difluoro-4-(1E)-1-propenyl- (9CI) molecular structure lightbox
CAS RN: 301308-13-4

Benzene, 1,2-difluoro-4-(1E)-1-propenyl- (9CI)

  • Product code: SSC-133819
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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 301308-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

301308-13-4 / 1,2-difluoro-4-[(E)-prop-1-enyl]benzene

Standard CAS: 301308-13-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
301308-13-4
Multi CAS
Yes
Molecular Formula
C9F2H8
Molecular Weight
154.160000
Exact Mass
154.059407
InChI
InChI=1S/C9H8F2/c1-2-3-7-4-5-8(10)9(11)6-7/h2-6H,1H3/b3-2+
InChIKey
SZZSOKKIWGZRQJ-NSCUHMNNSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.07
TPSA
0.0000

LogP / Solubility

WLOGP
3
MLOGP
2.63
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.53

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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