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CAS 23702-54-7 Diveratryl Ether molecular structure lightbox
CAS RN: 23702-54-7

Diveratryl Ether

  • Product code: SSC-115289
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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: ≥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 23702-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

23702-54-7 / 4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxybenzene

Standard CAS: 23702-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23702-54-7
Multi CAS
No
Molecular Formula
C18H22O5
Molecular Weight
318.400000
Exact Mass
318.146724
SMILES
COC1=C(C=C(C=C1)COCC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3
InChIKey
KTFBMMKWTQVUIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
87.59
TPSA
46.15

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3
Consensus LogP
3.16
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

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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