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CAS 778-66-5 1-METHYL-2,2-DIPHENYLETHYLENE molecular structure lightbox
CAS RN: 778-66-5

1-METHYL-2,2-DIPHENYLETHYLENE

  • Product code: SSC-187323
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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 778-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

778-66-5 / 1-phenylprop-1-enylbenzene

Standard CAS: 778-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
778-66-5
Multi CAS
Yes
Molecular Formula
C15H14
Molecular Weight
194.270000
Exact Mass
194.109550
InChI
InChI=1S/C15H14/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H3
InChIKey
KYVBUUNCHXRYOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
Molar refractivity
65.64
TPSA
0.0000

LogP / Solubility

WLOGP
4.14
MLOGP
3.64
XLogP3
4.8
Consensus LogP
4.19
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97

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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