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CAS 71015-62-8 4′-Hydroxymethylbenzo-18-crown-6 molecular structure lightbox
CAS RN: 71015-62-8

4′-Hydroxymethylbenzo-18-crown-6

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260114 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250530 1g In stock Shanghai Inquiry
Batchno.20251108 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250306 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS71015-62-8
  • Purity/Analytical Methods: >99.0%
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71015-62-8 / 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethanol

Standard CAS: 71015-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71015-62-8
Multi CAS
No
Molecular Formula
C17H26O7
Molecular Weight
342.400000
Exact Mass
342.167853
InChI
InChI=1S/C17H26O7/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/h1-2,13,18H,3-12,14H2
InChIKey
JKKSQYIAZYQNCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86.63
TPSA
75.61

LogP / Solubility

WLOGP
1.02
MLOGP
0.91
XLogP3
-0.7
Consensus LogP
0.41
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-4.09

Drug-likeness / Medicinal Chemistry

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

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