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CAS 17455-21-9 Dicyclohexano-21-crown-7 molecular structure lightbox
CAS RN: 17455-21-9

Dicyclohexano-21-crown-7

  • Product code: SSC-076566
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17455-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

17455-21-9 / 2,2-dicyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane

Standard CAS: 17455-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17455-21-9
Multi CAS
No
Molecular Formula
C26H48O7
Molecular Weight
472.700000
Exact Mass
472.340004
SMILES
C1CCC(CC1)C2(COCCOCCOCCOCCOCCOCCO2)C3CCCCC3
InChI
InChI=1S/C26H48O7/c1-3-7-24(8-4-1)26(25-9-5-2-6-10-25)23-32-20-19-30-16-15-28-12-11-27-13-14-29-17-18-31-21-22-33-26/h24-25H,1-23H2
InChIKey
IOWILYDIQORSRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
126.75
TPSA
64.61

LogP / Solubility

WLOGP
4.02
MLOGP
3.57
XLogP3
3.6
Consensus LogP
3.73
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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