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CAS 54814-64-1 5-HYDROXY-2-DECENOIC ACID LACTONE molecular structure lightbox
CAS RN: 54814-64-1

5-HYDROXY-2-DECENOIC ACID LACTONE

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100mg Out of stock Inquiry
Batchno.20251030 1g Out of stock Inquiry
Batchno.20250630 250mg Out of stock Inquiry
Batchno.20260314 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS54814-64-1
  • Purity/Analytical Methods: >99.0%
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54814-64-1 / 2-pentyl-2,3-dihydropyran-6-one

Standard CAS: 54814-64-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
54814-64-1
Multi CAS
Yes
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
InChIKey
NEDIAPMWNCQWNW-UHFFFAOYSA-N

Physical Properties

Boiling Point
286.00 to 287.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
47.78
TPSA
26.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
3.1
Consensus LogP
2.56
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.01

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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