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CAS 1774-36-3 Bis(4-methoxyphenyl) sulfoxide molecular structure lightbox
CAS RN: 1774-36-3

Bis(4-methoxyphenyl) sulfoxide

  • Product code: SSC-077551
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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 1774-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1774-36-3 / 1-methoxy-4-(4-methoxyphenyl)sulfinylbenzene

Standard CAS: 1774-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1774-36-3
Multi CAS
No
Molecular Formula
C14H14O3S
Molecular Weight
262.330000
Exact Mass
262.066365
SMILES
COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H14O3S/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
InChIKey
LEDPSBGADKSDKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
70.66
TPSA
35.53

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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