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CAS 18869-29-9 4,4′-Dimethyl-trans-stilbene molecular structure lightbox
CAS RN: 18869-29-9

4,4′-Dimethyl-trans-stilbene

  • Product code: SSC-087807
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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: ＞97%
  • 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 18869-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

18869-29-9 / 1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

Standard CAS: 18869-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18869-29-9
Multi CAS
No
Molecular Formula
C16H16
Molecular Weight
208.300000
Exact Mass
208.125201
SMILES
CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C
InChI
InChI=1S/C16H16/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+
InChIKey
KINZBJFIDFZQCB-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
Molar refractivity
71.29
TPSA
0.0000

LogP / Solubility

WLOGP
4.47
MLOGP
3.94
XLogP3
4.9
Consensus LogP
4.44
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

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

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