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CAS 68941-06-0 4′-Aminobenzo-18-crown-6 molecular structure lightbox
CAS RN: 68941-06-0

4′-Aminobenzo-18-crown-6

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251103 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251231 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS68941-06-0
  • Purity/Analytical Methods: >99.0%
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68941-06-0 / 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine

Standard CAS: 68941-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68941-06-0
Multi CAS
Yes
Molecular Formula
C16H25NO6
Molecular Weight
327.370000
Exact Mass
327.168188
InChI
InChI=1S/C16H25NO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12,17H2
InChIKey
PZXYILUXRGTFGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
H-bond acceptors
7
H-bond donors
1
Molar refractivity
85.12
TPSA
81.4

LogP / Solubility

WLOGP
1.11
MLOGP
0.99
XLogP3
-0.4
Consensus LogP
0.57
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

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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