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CAS 7370-44-7 tetrahydro-6-undecyl-2H-pyran-2-one molecular structure lightbox
CAS RN: 7370-44-7

tetrahydro-6-undecyl-2H-pyran-2-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS7370-44-7
  • Purity/Analytical Methods: >99.0%
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7370-44-7 / 6-undecyloxan-2-one

Standard CAS: 7370-44-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7370-44-7
Multi CAS
Yes
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3
InChIKey
ZMJKQSSFLIFELJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
75.58
TPSA
26.3

LogP / Solubility

WLOGP
5
MLOGP
4.41
XLogP3
5.8
Consensus LogP
5.07
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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