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CAS 230620-74-3 Benzyl-PEG6-THP molecular structure lightbox
CAS RN: 230620-74-3

Benzyl-PEG6-THP

  • Product code: SSC-112099
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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 230620-74-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

230620-74-3 / 2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]oxane

Standard CAS: 230620-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
230620-74-3
Multi CAS
No
Molecular Formula
C22H36O7
Molecular Weight
412.500000
Exact Mass
412.246103
SMILES
C1CCOC(C1)OCCOCCOCCOCCOCCOCC2=CC=CC=C2
InChI
InChI=1S/C22H36O7/c1-2-6-21(7-3-1)20-27-17-16-25-13-12-23-10-11-24-14-15-26-18-19-29-22-8-4-5-9-28-22/h1-3,6-7,22H,4-5,8-20H2
InChIKey
WQRPIBUKQARHFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
18
H-bond acceptors
7
Molar refractivity
108.92
TPSA
64.61

LogP / Solubility

WLOGP
2.81
MLOGP
2.5
XLogP3
1.7
Consensus LogP
2.34
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.24

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
3

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