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CAS 1471-18-7 3,3′-[[2,2-bis[(allyloxy)methyl]-1,3-propanediyl]bis(oxy)]dipropene molecular structure lightbox
CAS RN: 1471-18-7

3,3′-[[2,2-bis[(allyloxy)methyl]-1,3-propanediyl]bis(oxy)]dipropene

  • Product code: SSC-057929
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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 1471-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1471-18-7 / 1,3-bis(prop-2-enoxy)-2,2-bis(prop-2-enoxymethyl)propane

Standard CAS: 1471-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1471-18-7
Multi CAS
No
Molecular Formula
C17H28O4
Molecular Weight
296.400000
Exact Mass
296.198759
SMILES
C=CCOCC(COCC=C)(COCC=C)COCC=C
InChI
InChI=1S/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-8H,1-4,9-16H2
InChIKey
TYMYJUHDFROXOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.53
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
86.5
TPSA
36.92

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.3
Consensus LogP
2.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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