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CAS 27688-87-5 2-((3,4-bis(benzyloxy)phenoxy)methyl)oxirane molecular structure lightbox
CAS RN: 27688-87-5

2-((3,4-bis(benzyloxy)phenoxy)methyl)oxirane

  • Product code: SSC-127916
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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 27688-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

27688-87-5 / 2-[[3,4-bis(phenylmethoxy)phenoxy]methyl]oxirane

Standard CAS: 27688-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27688-87-5
Multi CAS
Yes
Molecular Formula
C23H22O4
Molecular Weight
362.400000
Exact Mass
362.151809
InChI
InChI=1S/C23H22O4/c1-3-7-18(8-4-1)14-26-22-12-11-20(24-16-21-17-25-21)13-23(22)27-15-19-9-5-2-6-10-19/h1-13,21H,14-17H2
InChIKey
RJNAMETVIBKNEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
103.23
TPSA
40.22

LogP / Solubility

WLOGP
4.62
MLOGP
4.09
XLogP3
4.5
Consensus LogP
4.4
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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