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CAS 60835-74-7 4′-Formylbenzo-18-crown 6-Ether molecular structure lightbox
CAS RN: 60835-74-7

4′-Formylbenzo-18-crown 6-Ether

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 100mg In stock Inquiry
Batchno.20260604 25mg In stock Inquiry
Batchno.20251213 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai Inquiry
Batchno.20250320 250mg In stock Shanghai Inquiry
Batchno.20250325 25mg In stock Shanghai Inquiry
Batchno.20260224 50mg In stock Shanghai Inquiry
  • Product code: ICTF0451
  • Purity/Analytical Methods: >98.0%(GC)
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60835-74-7 / 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde

Standard CAS: 60835-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60835-74-7
Multi CAS
Yes
Molecular Formula
C17H24O7
Molecular Weight
340.400000
Exact Mass
340.152203
InChI
InChI=1S/C17H24O7/c18-14-15-1-2-16-17(13-15)24-12-10-22-8-6-20-4-3-19-5-7-21-9-11-23-16/h1-2,13-14H,3-12H2
InChIKey
ALMXRNQJWRGNMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
86.1
TPSA
72.45

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
-0.3
Consensus LogP
0.74
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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