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CAS 56599-50-9 2-(7-Heptadecynyloxy)tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 56599-50-9

2-(7-Heptadecynyloxy)tetrahydro-2H-pyran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS56599-50-9
  • Purity/Analytical Methods: >99.0%
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56599-50-9 / 2-heptadec-7-ynoxyoxane

Standard CAS: 56599-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56599-50-9
Multi CAS
No
Molecular Formula
C22H40O2
Molecular Weight
336.600000
Exact Mass
336.302831
InChI
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h22H,2-9,12-21H2,1H3
InChIKey
ONANHJGDQJCYMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.91
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
103.01
TPSA
18.46

LogP / Solubility

WLOGP
6.62
MLOGP
5.85
XLogP3
8
Consensus LogP
6.82
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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