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CAS 15972-55-1 6,6-Bis(p-methoxyphenyl)fulvene molecular structure lightbox
CAS RN: 15972-55-1

6,6-Bis(p-methoxyphenyl)fulvene

  • Product code: SSC-067681
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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 15972-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

15972-55-1 / 1-[cyclopenta-2,4-dien-1-ylidene-(4-methoxyphenyl)methyl]-4-methoxybenzene

Standard CAS: 15972-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15972-55-1
Multi CAS
No
Molecular Formula
C20H18O2
Molecular Weight
290.400000
Exact Mass
290.130680
SMILES
COC1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18O2/c1-21-18-11-7-16(8-12-18)20(15-5-3-4-6-15)17-9-13-19(22-2)14-10-17/h3-14H,1-2H3
InChIKey
ZTPIYEQWTZQQCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
90.29
TPSA
18.46

LogP / Solubility

WLOGP
4.63
MLOGP
4.09
XLogP3
5.3
Consensus LogP
4.67
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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